Upload 2 files
#1
by
KexinZhang
- opened
- model_5/config.json +945 -0
- model_5/pytorch_model.bin +3 -0
model_5/config.json
ADDED
@@ -0,0 +1,945 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
+
{
|
2 |
+
"CONFIG": {
|
3 |
+
"data": {
|
4 |
+
"transform": {
|
5 |
+
"common": {
|
6 |
+
"crop_size": {
|
7 |
+
"eval": null,
|
8 |
+
"finetune": 384,
|
9 |
+
"predict": null,
|
10 |
+
"train": 256
|
11 |
+
},
|
12 |
+
"feats": {
|
13 |
+
"aatype": [
|
14 |
+
"num residues placeholder"
|
15 |
+
],
|
16 |
+
"all_atom_mask": [
|
17 |
+
"num residues placeholder",
|
18 |
+
null
|
19 |
+
],
|
20 |
+
"all_atom_positions": [
|
21 |
+
"num residues placeholder",
|
22 |
+
null,
|
23 |
+
null
|
24 |
+
],
|
25 |
+
"alt_chi_angles": [
|
26 |
+
"num residues placeholder",
|
27 |
+
null
|
28 |
+
],
|
29 |
+
"assembly_num_chains": [
|
30 |
+
null
|
31 |
+
],
|
32 |
+
"asym_id": [
|
33 |
+
"num residues placeholder"
|
34 |
+
],
|
35 |
+
"asym_len": [
|
36 |
+
null
|
37 |
+
],
|
38 |
+
"atom14_alt_gt_exists": [
|
39 |
+
"num residues placeholder",
|
40 |
+
null
|
41 |
+
],
|
42 |
+
"atom14_alt_gt_positions": [
|
43 |
+
"num residues placeholder",
|
44 |
+
null,
|
45 |
+
null
|
46 |
+
],
|
47 |
+
"atom14_atom_exists": [
|
48 |
+
"num residues placeholder",
|
49 |
+
null
|
50 |
+
],
|
51 |
+
"atom14_atom_is_ambiguous": [
|
52 |
+
"num residues placeholder",
|
53 |
+
null
|
54 |
+
],
|
55 |
+
"atom14_gt_exists": [
|
56 |
+
"num residues placeholder",
|
57 |
+
null
|
58 |
+
],
|
59 |
+
"atom14_gt_positions": [
|
60 |
+
"num residues placeholder",
|
61 |
+
null,
|
62 |
+
null
|
63 |
+
],
|
64 |
+
"atom37_atom_exists": [
|
65 |
+
"num residues placeholder",
|
66 |
+
null
|
67 |
+
],
|
68 |
+
"backbone_rigid_mask": [
|
69 |
+
"num residues placeholder"
|
70 |
+
],
|
71 |
+
"backbone_rigid_tensor": [
|
72 |
+
"num residues placeholder",
|
73 |
+
null,
|
74 |
+
null
|
75 |
+
],
|
76 |
+
"bert_mask": [
|
77 |
+
"msa placeholder",
|
78 |
+
"num residues placeholder"
|
79 |
+
],
|
80 |
+
"chi_angles_sin_cos": [
|
81 |
+
"num residues placeholder",
|
82 |
+
null,
|
83 |
+
null
|
84 |
+
],
|
85 |
+
"chi_mask": [
|
86 |
+
"num residues placeholder",
|
87 |
+
null
|
88 |
+
],
|
89 |
+
"cluster_bias_mask": [
|
90 |
+
"msa placeholder"
|
91 |
+
],
|
92 |
+
"entity_id": [
|
93 |
+
"num residues placeholder"
|
94 |
+
],
|
95 |
+
"extra_deletion_value": [
|
96 |
+
"extra msa placeholder",
|
97 |
+
"num residues placeholder"
|
98 |
+
],
|
99 |
+
"extra_has_deletion": [
|
100 |
+
"extra msa placeholder",
|
101 |
+
"num residues placeholder"
|
102 |
+
],
|
103 |
+
"extra_msa": [
|
104 |
+
"extra msa placeholder",
|
105 |
+
"num residues placeholder"
|
106 |
+
],
|
107 |
+
"extra_msa_mask": [
|
108 |
+
"extra msa placeholder",
|
109 |
+
"num residues placeholder"
|
110 |
+
],
|
111 |
+
"extra_msa_row_mask": [
|
112 |
+
"extra msa placeholder"
|
113 |
+
],
|
114 |
+
"is_distillation": [],
|
115 |
+
"msa_feat": [
|
116 |
+
"msa placeholder",
|
117 |
+
"num residues placeholder",
|
118 |
+
null
|
119 |
+
],
|
120 |
+
"msa_mask": [
|
121 |
+
"msa placeholder",
|
122 |
+
"num residues placeholder"
|
123 |
+
],
|
124 |
+
"msa_row_mask": [
|
125 |
+
"msa placeholder"
|
126 |
+
],
|
127 |
+
"no_recycling_iters": [],
|
128 |
+
"num_sym": [
|
129 |
+
"num residues placeholder"
|
130 |
+
],
|
131 |
+
"pseudo_beta": [
|
132 |
+
"num residues placeholder",
|
133 |
+
null
|
134 |
+
],
|
135 |
+
"pseudo_beta_mask": [
|
136 |
+
"num residues placeholder"
|
137 |
+
],
|
138 |
+
"residue_index": [
|
139 |
+
"num residues placeholder"
|
140 |
+
],
|
141 |
+
"residx_atom14_to_atom37": [
|
142 |
+
"num residues placeholder",
|
143 |
+
null
|
144 |
+
],
|
145 |
+
"residx_atom37_to_atom14": [
|
146 |
+
"num residues placeholder",
|
147 |
+
null
|
148 |
+
],
|
149 |
+
"resolution": [],
|
150 |
+
"rigidgroups_alt_gt_frames": [
|
151 |
+
"num residues placeholder",
|
152 |
+
null,
|
153 |
+
null,
|
154 |
+
null
|
155 |
+
],
|
156 |
+
"rigidgroups_group_exists": [
|
157 |
+
"num residues placeholder",
|
158 |
+
null
|
159 |
+
],
|
160 |
+
"rigidgroups_group_is_ambiguous": [
|
161 |
+
"num residues placeholder",
|
162 |
+
null
|
163 |
+
],
|
164 |
+
"rigidgroups_gt_exists": [
|
165 |
+
"num residues placeholder",
|
166 |
+
null
|
167 |
+
],
|
168 |
+
"rigidgroups_gt_frames": [
|
169 |
+
"num residues placeholder",
|
170 |
+
null,
|
171 |
+
null,
|
172 |
+
null
|
173 |
+
],
|
174 |
+
"seq_length": [],
|
175 |
+
"seq_mask": [
|
176 |
+
"num residues placeholder"
|
177 |
+
],
|
178 |
+
"sym_id": [
|
179 |
+
"num residues placeholder"
|
180 |
+
],
|
181 |
+
"target_feat": [
|
182 |
+
"num residues placeholder",
|
183 |
+
null
|
184 |
+
],
|
185 |
+
"template_aatype": [
|
186 |
+
"num templates placeholder",
|
187 |
+
"num residues placeholder"
|
188 |
+
],
|
189 |
+
"template_all_atom_mask": [
|
190 |
+
"num templates placeholder",
|
191 |
+
"num residues placeholder",
|
192 |
+
null
|
193 |
+
],
|
194 |
+
"template_all_atom_positions": [
|
195 |
+
"num templates placeholder",
|
196 |
+
"num residues placeholder",
|
197 |
+
null,
|
198 |
+
null
|
199 |
+
],
|
200 |
+
"template_alt_torsion_angles_sin_cos": [
|
201 |
+
"num templates placeholder",
|
202 |
+
"num residues placeholder",
|
203 |
+
null,
|
204 |
+
null
|
205 |
+
],
|
206 |
+
"template_backbone_rigid_mask": [
|
207 |
+
"num templates placeholder",
|
208 |
+
"num residues placeholder"
|
209 |
+
],
|
210 |
+
"template_backbone_rigid_tensor": [
|
211 |
+
"num templates placeholder",
|
212 |
+
"num residues placeholder",
|
213 |
+
null,
|
214 |
+
null
|
215 |
+
],
|
216 |
+
"template_mask": [
|
217 |
+
"num templates placeholder"
|
218 |
+
],
|
219 |
+
"template_pseudo_beta": [
|
220 |
+
"num templates placeholder",
|
221 |
+
"num residues placeholder",
|
222 |
+
null
|
223 |
+
],
|
224 |
+
"template_pseudo_beta_mask": [
|
225 |
+
"num templates placeholder",
|
226 |
+
"num residues placeholder"
|
227 |
+
],
|
228 |
+
"template_sum_probs": [
|
229 |
+
"num templates placeholder",
|
230 |
+
null
|
231 |
+
],
|
232 |
+
"template_torsion_angles_mask": [
|
233 |
+
"num templates placeholder",
|
234 |
+
"num residues placeholder",
|
235 |
+
null
|
236 |
+
],
|
237 |
+
"template_torsion_angles_sin_cos": [
|
238 |
+
"num templates placeholder",
|
239 |
+
"num residues placeholder",
|
240 |
+
null,
|
241 |
+
null
|
242 |
+
],
|
243 |
+
"true_msa": [
|
244 |
+
"msa placeholder",
|
245 |
+
"num residues placeholder"
|
246 |
+
],
|
247 |
+
"use_clamped_fape": []
|
248 |
+
},
|
249 |
+
"max_extra_msa": {
|
250 |
+
"eval": 512,
|
251 |
+
"finetune": 5120,
|
252 |
+
"predict": 1024,
|
253 |
+
"train": 1024
|
254 |
+
},
|
255 |
+
"max_msa_clusters": {
|
256 |
+
"eval": 128,
|
257 |
+
"finetune": 512,
|
258 |
+
"predict": 512,
|
259 |
+
"train": 128
|
260 |
+
},
|
261 |
+
"max_templates": 4,
|
262 |
+
"no_recycling_iters": 3,
|
263 |
+
"reduce_msa_clusters_by_max_templates": false,
|
264 |
+
"resample_msa_in_recycling": true,
|
265 |
+
"subsample_templates": {
|
266 |
+
"eval": false,
|
267 |
+
"finetune": true,
|
268 |
+
"predict": false,
|
269 |
+
"train": true
|
270 |
+
},
|
271 |
+
"supervised": {
|
272 |
+
"eval": true,
|
273 |
+
"finetune": true,
|
274 |
+
"predict": false,
|
275 |
+
"train": true
|
276 |
+
},
|
277 |
+
"supervised_features": [
|
278 |
+
"all_atom_mask",
|
279 |
+
"all_atom_positions",
|
280 |
+
"resolution",
|
281 |
+
"use_clamped_fape",
|
282 |
+
"is_distillation"
|
283 |
+
],
|
284 |
+
"template_features": [
|
285 |
+
"template_all_atom_positions",
|
286 |
+
"template_sum_probs",
|
287 |
+
"template_aatype",
|
288 |
+
"template_all_atom_mask"
|
289 |
+
],
|
290 |
+
"uniform_recycling": {
|
291 |
+
"eval": false,
|
292 |
+
"finetune": true,
|
293 |
+
"predict": false,
|
294 |
+
"train": true
|
295 |
+
},
|
296 |
+
"unsupervised_features": [
|
297 |
+
"aatype",
|
298 |
+
"residue_index",
|
299 |
+
"msa",
|
300 |
+
"num_alignments",
|
301 |
+
"seq_length",
|
302 |
+
"between_segment_residues",
|
303 |
+
"deletion_matrix",
|
304 |
+
"no_recycling_iters"
|
305 |
+
]
|
306 |
+
},
|
307 |
+
"make_masked_msa": {
|
308 |
+
"profile_prob": 0.1,
|
309 |
+
"replace_fraction": 0.15,
|
310 |
+
"same_prob": 0.1,
|
311 |
+
"uniform_prob": 0.1
|
312 |
+
},
|
313 |
+
"make_relative_encoding_feat": {
|
314 |
+
"max_relative_feature": 32
|
315 |
+
},
|
316 |
+
"nearest_neighbor_clusters": {
|
317 |
+
"gap_agreement_weight": 0.0
|
318 |
+
},
|
319 |
+
"randomly_replace_msa_with_unknown": {
|
320 |
+
"replace_proportion": 0.0
|
321 |
+
},
|
322 |
+
"sample_msa": {
|
323 |
+
"reduce_msa_clusters_by_max_templates": false
|
324 |
+
}
|
325 |
+
}
|
326 |
+
},
|
327 |
+
"globals": {
|
328 |
+
"is_multimer": false,
|
329 |
+
"mode": "predict",
|
330 |
+
"num_recycles": 3,
|
331 |
+
"recycle_early_stop_tolerance": 0.5,
|
332 |
+
"use_templates": false
|
333 |
+
},
|
334 |
+
"model": {
|
335 |
+
"auxiliary_heads": {
|
336 |
+
"c_m": 256,
|
337 |
+
"c_s": 384,
|
338 |
+
"c_z": 128,
|
339 |
+
"distogram_head_num_bins": 64,
|
340 |
+
"experimentally_resolved_head_c_out": 37,
|
341 |
+
"masked_msa_head_c_out": 23,
|
342 |
+
"predicted_aligned_error_head_num_bins": 64,
|
343 |
+
"predicted_lddt_head_c_hidden": 128,
|
344 |
+
"predicted_lddt_head_num_bins": 50,
|
345 |
+
"tm_enabled": false
|
346 |
+
},
|
347 |
+
"evoformer_stack": {
|
348 |
+
"c_h_m": 32,
|
349 |
+
"c_h_opm": 32,
|
350 |
+
"c_h_u": 128,
|
351 |
+
"c_h_z": 32,
|
352 |
+
"c_m": 256,
|
353 |
+
"c_s": 384,
|
354 |
+
"c_z": 128,
|
355 |
+
"fused": false,
|
356 |
+
"h_m": 8,
|
357 |
+
"h_z": 4,
|
358 |
+
"msa_global_col_attention": false,
|
359 |
+
"n_trans": 4,
|
360 |
+
"num_blocks": 48,
|
361 |
+
"opm_first": false,
|
362 |
+
"ouput_single": true
|
363 |
+
},
|
364 |
+
"extra_msa_stack": {
|
365 |
+
"c_h_m": 8,
|
366 |
+
"c_h_opm": 32,
|
367 |
+
"c_h_u": 128,
|
368 |
+
"c_h_z": 32,
|
369 |
+
"c_m": 64,
|
370 |
+
"c_z": 128,
|
371 |
+
"fused": false,
|
372 |
+
"h_m": 8,
|
373 |
+
"h_z": 4,
|
374 |
+
"msa_global_col_attention": true,
|
375 |
+
"n_trans": 4,
|
376 |
+
"num_blocks": 4,
|
377 |
+
"opm_first": false
|
378 |
+
},
|
379 |
+
"feature_embedder": {
|
380 |
+
"c_e": 64,
|
381 |
+
"c_m": 256,
|
382 |
+
"c_t": 64,
|
383 |
+
"c_taf": 57,
|
384 |
+
"c_tpf": 88,
|
385 |
+
"c_z": 128,
|
386 |
+
"extra_msa_dim": 25,
|
387 |
+
"max_relative_feature": 32,
|
388 |
+
"msa_dim": 49,
|
389 |
+
"num_bins": 15,
|
390 |
+
"tf_dim": 22
|
391 |
+
},
|
392 |
+
"loss": {
|
393 |
+
"distogram_loss": {
|
394 |
+
"eps": 1e-06,
|
395 |
+
"max_bin": 21.6875,
|
396 |
+
"min_bin": 2.3125,
|
397 |
+
"no_bins": 64,
|
398 |
+
"weight": 0.3
|
399 |
+
},
|
400 |
+
"experimentally_resolved_loss": {
|
401 |
+
"eps": 1e-08,
|
402 |
+
"max_resolution": 3.0,
|
403 |
+
"min_resolution": 0.1,
|
404 |
+
"weight": 0.0
|
405 |
+
},
|
406 |
+
"fape_loss": {
|
407 |
+
"backbone": {
|
408 |
+
"clamp_distance": 10.0,
|
409 |
+
"loss_unit_distance": 10.0,
|
410 |
+
"weight": 0.5
|
411 |
+
},
|
412 |
+
"eps": 0.0001,
|
413 |
+
"sidechain": {
|
414 |
+
"clamp_distance": 10.0,
|
415 |
+
"length_scale": 10.0,
|
416 |
+
"weight": 0.5
|
417 |
+
},
|
418 |
+
"weight": 1.0
|
419 |
+
},
|
420 |
+
"masked_msa_loss": {
|
421 |
+
"eps": 1e-08,
|
422 |
+
"weight": 2.0
|
423 |
+
},
|
424 |
+
"predicted_lddt_loss": {
|
425 |
+
"cutoff": 15.0,
|
426 |
+
"eps": 1e-10,
|
427 |
+
"max_resolution": 3.0,
|
428 |
+
"min_resolution": 0.1,
|
429 |
+
"no_bins": 50,
|
430 |
+
"weight": 0.01
|
431 |
+
},
|
432 |
+
"predicted_tm_loss": {
|
433 |
+
"eps": 1e-08,
|
434 |
+
"max_bin": 31,
|
435 |
+
"max_resolution": 3.0,
|
436 |
+
"min_resolution": 0.1,
|
437 |
+
"no_bins": 64,
|
438 |
+
"weight": 0.1
|
439 |
+
},
|
440 |
+
"supervised_chi_loss": {
|
441 |
+
"angle_norm_weight": 0.01,
|
442 |
+
"chi_weight": 0.5,
|
443 |
+
"eps": 1e-06,
|
444 |
+
"weight": 1.0
|
445 |
+
},
|
446 |
+
"violation_loss": {
|
447 |
+
"clash_overlap_tolerance": 1.5,
|
448 |
+
"eps": 1e-06,
|
449 |
+
"violation_tolerance_factor": 12.0,
|
450 |
+
"weight": 0.0
|
451 |
+
}
|
452 |
+
},
|
453 |
+
"structure_module": {
|
454 |
+
"c_s": 384,
|
455 |
+
"c_sc": 128,
|
456 |
+
"c_z": 128,
|
457 |
+
"dropout": 0.1,
|
458 |
+
"ipa_scalar_bias": true,
|
459 |
+
"no_angles": 7,
|
460 |
+
"num_head": 12,
|
461 |
+
"num_layer": 8,
|
462 |
+
"num_point_qk": 4,
|
463 |
+
"num_point_v": 8,
|
464 |
+
"num_scalar_qk": 16,
|
465 |
+
"num_scalar_v": 16,
|
466 |
+
"position_scale": 10.0,
|
467 |
+
"separate_kv": false
|
468 |
+
},
|
469 |
+
"template_pair_stack": {
|
470 |
+
"attention_first": true,
|
471 |
+
"c_h_t": 16,
|
472 |
+
"c_h_u": 64,
|
473 |
+
"c_t": 64,
|
474 |
+
"c_z": 128,
|
475 |
+
"fused": false,
|
476 |
+
"h_t": 4,
|
477 |
+
"n_trans": 2,
|
478 |
+
"num_blocks": 2
|
479 |
+
}
|
480 |
+
}
|
481 |
+
},
|
482 |
+
"CONFIG_DIFFS": {
|
483 |
+
"model_1": {
|
484 |
+
"data.transform.common.max_extra_msa.predict": 5120,
|
485 |
+
"data.transform.common.max_extra_msa.train": 5120,
|
486 |
+
"data.transform.use_templates": true,
|
487 |
+
"globals.use_templates": true
|
488 |
+
},
|
489 |
+
"model_1_multimer": {
|
490 |
+
"data.transform.common.max_extra_msa": {
|
491 |
+
"eval": 1152,
|
492 |
+
"finetune": 1152,
|
493 |
+
"predict": 1152,
|
494 |
+
"train": 1152
|
495 |
+
},
|
496 |
+
"data.transform.common.max_msa_clusters": {
|
497 |
+
"eval": 128,
|
498 |
+
"finetune": 252,
|
499 |
+
"predict": 128,
|
500 |
+
"train": 128
|
501 |
+
},
|
502 |
+
"globals.is_multimer": true,
|
503 |
+
"globals.use_templates": true,
|
504 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
505 |
+
"model.auxiliary_heads.tm_enabled": true,
|
506 |
+
"model.evoformer_stack.opm_first": true,
|
507 |
+
"model.extra_msa_stack.opm_first": true,
|
508 |
+
"model.feature_embedder.c_taf": 34,
|
509 |
+
"model.feature_embedder.tf_dim": 21,
|
510 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
511 |
+
"model.structure_module.ipa_scalar_bias": false,
|
512 |
+
"model.structure_module.position_scale": 20,
|
513 |
+
"model.structure_module.separate_kv": true,
|
514 |
+
"model.template_pair_stack.attention_first": false
|
515 |
+
},
|
516 |
+
"model_1_multimer_v2": {
|
517 |
+
"data.transform.common.max_extra_msa": {
|
518 |
+
"eval": 1152,
|
519 |
+
"finetune": 1152,
|
520 |
+
"predict": 1152,
|
521 |
+
"train": 1152
|
522 |
+
},
|
523 |
+
"data.transform.common.max_msa_clusters": {
|
524 |
+
"eval": 128,
|
525 |
+
"finetune": 512,
|
526 |
+
"predict": 252,
|
527 |
+
"train": 128
|
528 |
+
},
|
529 |
+
"globals.is_multimer": true,
|
530 |
+
"globals.use_templates": true,
|
531 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
532 |
+
"model.auxiliary_heads.tm_enabled": true,
|
533 |
+
"model.evoformer_stack.opm_first": true,
|
534 |
+
"model.extra_msa_stack.opm_first": true,
|
535 |
+
"model.feature_embedder.c_taf": 34,
|
536 |
+
"model.feature_embedder.tf_dim": 21,
|
537 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
538 |
+
"model.structure_module.ipa_scalar_bias": false,
|
539 |
+
"model.structure_module.position_scale": 20,
|
540 |
+
"model.structure_module.separate_kv": true,
|
541 |
+
"model.template_pair_stack.attention_first": false
|
542 |
+
},
|
543 |
+
"model_1_multimer_v3": {
|
544 |
+
"data.transform.common.max_extra_msa": {
|
545 |
+
"eval": 1152,
|
546 |
+
"finetune": 1152,
|
547 |
+
"predict": 2048,
|
548 |
+
"train": 1152
|
549 |
+
},
|
550 |
+
"data.transform.common.max_msa_clusters": {
|
551 |
+
"eval": 128,
|
552 |
+
"finetune": 512,
|
553 |
+
"predict": 508,
|
554 |
+
"train": 128
|
555 |
+
},
|
556 |
+
"globals.is_multimer": true,
|
557 |
+
"globals.use_templates": true,
|
558 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
559 |
+
"model.auxiliary_heads.tm_enabled": true,
|
560 |
+
"model.evoformer_stack.fused": true,
|
561 |
+
"model.evoformer_stack.opm_first": true,
|
562 |
+
"model.extra_msa_stack.fused": true,
|
563 |
+
"model.extra_msa_stack.opm_first": true,
|
564 |
+
"model.feature_embedder.c_taf": 34,
|
565 |
+
"model.feature_embedder.tf_dim": 21,
|
566 |
+
"model.structure_module.ipa_scalar_bias": false,
|
567 |
+
"model.structure_module.position_scale": 20,
|
568 |
+
"model.structure_module.separate_kv": true,
|
569 |
+
"model.template_pair_stack.attention_first": false
|
570 |
+
},
|
571 |
+
"model_1_ptm": {
|
572 |
+
"data.transform.common.max_extra_msa.predict": 5120,
|
573 |
+
"data.transform.common.max_extra_msa.train": 5120,
|
574 |
+
"data.transform.use_templates": true,
|
575 |
+
"globals.use_templates": true,
|
576 |
+
"model.auxiliary_heads.tm_enabled": true
|
577 |
+
},
|
578 |
+
"model_2": {
|
579 |
+
"globals.use_templates": true
|
580 |
+
},
|
581 |
+
"model_2_multimer": {
|
582 |
+
"data.transform.common.max_extra_msa": {
|
583 |
+
"eval": 1152,
|
584 |
+
"finetune": 1152,
|
585 |
+
"predict": 1152,
|
586 |
+
"train": 1152
|
587 |
+
},
|
588 |
+
"data.transform.common.max_msa_clusters": {
|
589 |
+
"eval": 128,
|
590 |
+
"finetune": 252,
|
591 |
+
"predict": 128,
|
592 |
+
"train": 128
|
593 |
+
},
|
594 |
+
"globals.is_multimer": true,
|
595 |
+
"globals.use_templates": true,
|
596 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
597 |
+
"model.auxiliary_heads.tm_enabled": true,
|
598 |
+
"model.evoformer_stack.opm_first": true,
|
599 |
+
"model.extra_msa_stack.opm_first": true,
|
600 |
+
"model.feature_embedder.c_taf": 34,
|
601 |
+
"model.feature_embedder.tf_dim": 21,
|
602 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
603 |
+
"model.structure_module.ipa_scalar_bias": false,
|
604 |
+
"model.structure_module.position_scale": 20,
|
605 |
+
"model.structure_module.separate_kv": true,
|
606 |
+
"model.template_pair_stack.attention_first": false
|
607 |
+
},
|
608 |
+
"model_2_multimer_v2": {
|
609 |
+
"data.transform.common.max_extra_msa": {
|
610 |
+
"eval": 1152,
|
611 |
+
"finetune": 1152,
|
612 |
+
"predict": 1152,
|
613 |
+
"train": 1152
|
614 |
+
},
|
615 |
+
"data.transform.common.max_msa_clusters": {
|
616 |
+
"eval": 128,
|
617 |
+
"finetune": 512,
|
618 |
+
"predict": 252,
|
619 |
+
"train": 128
|
620 |
+
},
|
621 |
+
"globals.is_multimer": true,
|
622 |
+
"globals.use_templates": true,
|
623 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
624 |
+
"model.auxiliary_heads.tm_enabled": true,
|
625 |
+
"model.evoformer_stack.opm_first": true,
|
626 |
+
"model.extra_msa_stack.opm_first": true,
|
627 |
+
"model.feature_embedder.c_taf": 34,
|
628 |
+
"model.feature_embedder.tf_dim": 21,
|
629 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
630 |
+
"model.structure_module.ipa_scalar_bias": false,
|
631 |
+
"model.structure_module.position_scale": 20,
|
632 |
+
"model.structure_module.separate_kv": true,
|
633 |
+
"model.template_pair_stack.attention_first": false
|
634 |
+
},
|
635 |
+
"model_2_multimer_v3": {
|
636 |
+
"data.transform.common.max_extra_msa": {
|
637 |
+
"eval": 1152,
|
638 |
+
"finetune": 1152,
|
639 |
+
"predict": 2048,
|
640 |
+
"train": 1152
|
641 |
+
},
|
642 |
+
"data.transform.common.max_msa_clusters": {
|
643 |
+
"eval": 128,
|
644 |
+
"finetune": 512,
|
645 |
+
"predict": 508,
|
646 |
+
"train": 128
|
647 |
+
},
|
648 |
+
"globals.is_multimer": true,
|
649 |
+
"globals.use_templates": true,
|
650 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
651 |
+
"model.auxiliary_heads.tm_enabled": true,
|
652 |
+
"model.evoformer_stack.fused": true,
|
653 |
+
"model.evoformer_stack.opm_first": true,
|
654 |
+
"model.extra_msa_stack.fused": true,
|
655 |
+
"model.extra_msa_stack.opm_first": true,
|
656 |
+
"model.feature_embedder.c_taf": 34,
|
657 |
+
"model.feature_embedder.tf_dim": 21,
|
658 |
+
"model.structure_module.ipa_scalar_bias": false,
|
659 |
+
"model.structure_module.position_scale": 20,
|
660 |
+
"model.structure_module.separate_kv": true,
|
661 |
+
"model.template_pair_stack.attention_first": false
|
662 |
+
},
|
663 |
+
"model_2_ptm": {
|
664 |
+
"globals.use_templates": true,
|
665 |
+
"model.auxiliary_heads.tm_enabled": true
|
666 |
+
},
|
667 |
+
"model_3": {
|
668 |
+
"data.transform.common.max_extra_msa.predict": 5120,
|
669 |
+
"data.transform.common.max_extra_msa.train": 5120
|
670 |
+
},
|
671 |
+
"model_3_multimer": {
|
672 |
+
"data.transform.common.max_extra_msa": {
|
673 |
+
"eval": 1152,
|
674 |
+
"finetune": 1152,
|
675 |
+
"predict": 1152,
|
676 |
+
"train": 1152
|
677 |
+
},
|
678 |
+
"data.transform.common.max_msa_clusters": {
|
679 |
+
"eval": 128,
|
680 |
+
"finetune": 252,
|
681 |
+
"predict": 128,
|
682 |
+
"train": 128
|
683 |
+
},
|
684 |
+
"globals.is_multimer": true,
|
685 |
+
"globals.use_templates": true,
|
686 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
687 |
+
"model.auxiliary_heads.tm_enabled": true,
|
688 |
+
"model.evoformer_stack.opm_first": true,
|
689 |
+
"model.extra_msa_stack.opm_first": true,
|
690 |
+
"model.feature_embedder.c_taf": 34,
|
691 |
+
"model.feature_embedder.tf_dim": 21,
|
692 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
693 |
+
"model.structure_module.ipa_scalar_bias": false,
|
694 |
+
"model.structure_module.position_scale": 20,
|
695 |
+
"model.structure_module.separate_kv": true,
|
696 |
+
"model.template_pair_stack.attention_first": false
|
697 |
+
},
|
698 |
+
"model_3_multimer_v2": {
|
699 |
+
"data.transform.common.max_extra_msa": {
|
700 |
+
"eval": 1152,
|
701 |
+
"finetune": 1152,
|
702 |
+
"predict": 1152,
|
703 |
+
"train": 1152
|
704 |
+
},
|
705 |
+
"data.transform.common.max_msa_clusters": {
|
706 |
+
"eval": 128,
|
707 |
+
"finetune": 512,
|
708 |
+
"predict": 252,
|
709 |
+
"train": 128
|
710 |
+
},
|
711 |
+
"globals.is_multimer": true,
|
712 |
+
"globals.use_templates": true,
|
713 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
714 |
+
"model.auxiliary_heads.tm_enabled": true,
|
715 |
+
"model.evoformer_stack.opm_first": true,
|
716 |
+
"model.extra_msa_stack.opm_first": true,
|
717 |
+
"model.feature_embedder.c_taf": 34,
|
718 |
+
"model.feature_embedder.tf_dim": 21,
|
719 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
720 |
+
"model.structure_module.ipa_scalar_bias": false,
|
721 |
+
"model.structure_module.position_scale": 20,
|
722 |
+
"model.structure_module.separate_kv": true,
|
723 |
+
"model.template_pair_stack.attention_first": false
|
724 |
+
},
|
725 |
+
"model_3_multimer_v3": {
|
726 |
+
"data.transform.common.max_extra_msa": {
|
727 |
+
"eval": 1152,
|
728 |
+
"finetune": 1152,
|
729 |
+
"predict": 2048,
|
730 |
+
"train": 1152
|
731 |
+
},
|
732 |
+
"data.transform.common.max_msa_clusters": {
|
733 |
+
"eval": 128,
|
734 |
+
"finetune": 512,
|
735 |
+
"predict": 508,
|
736 |
+
"train": 128
|
737 |
+
},
|
738 |
+
"globals.is_multimer": true,
|
739 |
+
"globals.use_templates": true,
|
740 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
741 |
+
"model.auxiliary_heads.tm_enabled": true,
|
742 |
+
"model.evoformer_stack.fused": true,
|
743 |
+
"model.evoformer_stack.opm_first": true,
|
744 |
+
"model.extra_msa_stack.fused": true,
|
745 |
+
"model.extra_msa_stack.opm_first": true,
|
746 |
+
"model.feature_embedder.c_taf": 34,
|
747 |
+
"model.feature_embedder.tf_dim": 21,
|
748 |
+
"model.structure_module.ipa_scalar_bias": false,
|
749 |
+
"model.structure_module.position_scale": 20,
|
750 |
+
"model.structure_module.separate_kv": true,
|
751 |
+
"model.template_pair_stack.attention_first": false
|
752 |
+
},
|
753 |
+
"model_3_ptm": {
|
754 |
+
"data.transform.common.max_extra_msa.predict": 5120,
|
755 |
+
"data.transform.common.max_extra_msa.train": 5120,
|
756 |
+
"model.auxiliary_heads.tm_enabled": true
|
757 |
+
},
|
758 |
+
"model_4": {
|
759 |
+
"data.transform.common.max_extra_msa.predict": 5120,
|
760 |
+
"data.transform.common.max_extra_msa.train": 5120
|
761 |
+
},
|
762 |
+
"model_4_multimer": {
|
763 |
+
"data.transform.common.max_extra_msa": {
|
764 |
+
"eval": 1152,
|
765 |
+
"finetune": 1152,
|
766 |
+
"predict": 1152,
|
767 |
+
"train": 1152
|
768 |
+
},
|
769 |
+
"data.transform.common.max_msa_clusters": {
|
770 |
+
"eval": 128,
|
771 |
+
"finetune": 252,
|
772 |
+
"predict": 128,
|
773 |
+
"train": 128
|
774 |
+
},
|
775 |
+
"globals.is_multimer": true,
|
776 |
+
"globals.use_templates": true,
|
777 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
778 |
+
"model.auxiliary_heads.tm_enabled": true,
|
779 |
+
"model.evoformer_stack.opm_first": true,
|
780 |
+
"model.extra_msa_stack.opm_first": true,
|
781 |
+
"model.feature_embedder.c_taf": 34,
|
782 |
+
"model.feature_embedder.tf_dim": 21,
|
783 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
784 |
+
"model.structure_module.ipa_scalar_bias": false,
|
785 |
+
"model.structure_module.position_scale": 20,
|
786 |
+
"model.structure_module.separate_kv": true,
|
787 |
+
"model.template_pair_stack.attention_first": false
|
788 |
+
},
|
789 |
+
"model_4_multimer_v2": {
|
790 |
+
"data.transform.common.max_extra_msa": {
|
791 |
+
"eval": 1152,
|
792 |
+
"finetune": 1152,
|
793 |
+
"predict": 1152,
|
794 |
+
"train": 1152
|
795 |
+
},
|
796 |
+
"data.transform.common.max_msa_clusters": {
|
797 |
+
"eval": 128,
|
798 |
+
"finetune": 512,
|
799 |
+
"predict": 252,
|
800 |
+
"train": 128
|
801 |
+
},
|
802 |
+
"globals.is_multimer": true,
|
803 |
+
"globals.use_templates": true,
|
804 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
805 |
+
"model.auxiliary_heads.tm_enabled": true,
|
806 |
+
"model.evoformer_stack.opm_first": true,
|
807 |
+
"model.extra_msa_stack.opm_first": true,
|
808 |
+
"model.feature_embedder.c_taf": 34,
|
809 |
+
"model.feature_embedder.tf_dim": 21,
|
810 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
811 |
+
"model.structure_module.ipa_scalar_bias": false,
|
812 |
+
"model.structure_module.position_scale": 20,
|
813 |
+
"model.structure_module.separate_kv": true,
|
814 |
+
"model.template_pair_stack.attention_first": false
|
815 |
+
},
|
816 |
+
"model_4_multimer_v3": {
|
817 |
+
"data.transform.common.max_extra_msa": {
|
818 |
+
"eval": 1152,
|
819 |
+
"finetune": 1152,
|
820 |
+
"predict": 1152,
|
821 |
+
"train": 1152
|
822 |
+
},
|
823 |
+
"data.transform.common.max_msa_clusters": {
|
824 |
+
"eval": 128,
|
825 |
+
"finetune": 512,
|
826 |
+
"predict": 508,
|
827 |
+
"train": 128
|
828 |
+
},
|
829 |
+
"globals.is_multimer": true,
|
830 |
+
"globals.use_templates": true,
|
831 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
832 |
+
"model.auxiliary_heads.tm_enabled": true,
|
833 |
+
"model.evoformer_stack.fused": true,
|
834 |
+
"model.evoformer_stack.opm_first": true,
|
835 |
+
"model.extra_msa_stack.fused": true,
|
836 |
+
"model.extra_msa_stack.opm_first": true,
|
837 |
+
"model.feature_embedder.c_taf": 34,
|
838 |
+
"model.feature_embedder.tf_dim": 21,
|
839 |
+
"model.structure_module.ipa_scalar_bias": false,
|
840 |
+
"model.structure_module.position_scale": 20,
|
841 |
+
"model.structure_module.separate_kv": true,
|
842 |
+
"model.template_pair_stack.attention_first": false
|
843 |
+
},
|
844 |
+
"model_4_ptm": {
|
845 |
+
"data.transform.common.max_extra_msa.predict": 5120,
|
846 |
+
"data.transform.common.max_extra_msa.train": 5120,
|
847 |
+
"model.auxiliary_heads.tm_enabled": true
|
848 |
+
},
|
849 |
+
"model_5": {},
|
850 |
+
"model_5_multimer": {
|
851 |
+
"data.transform.common.max_extra_msa": {
|
852 |
+
"eval": 1152,
|
853 |
+
"finetune": 1152,
|
854 |
+
"predict": 1152,
|
855 |
+
"train": 1152
|
856 |
+
},
|
857 |
+
"data.transform.common.max_msa_clusters": {
|
858 |
+
"eval": 128,
|
859 |
+
"finetune": 252,
|
860 |
+
"predict": 128,
|
861 |
+
"train": 128
|
862 |
+
},
|
863 |
+
"globals.is_multimer": true,
|
864 |
+
"globals.use_templates": true,
|
865 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
866 |
+
"model.auxiliary_heads.tm_enabled": true,
|
867 |
+
"model.evoformer_stack.opm_first": true,
|
868 |
+
"model.extra_msa_stack.opm_first": true,
|
869 |
+
"model.feature_embedder.c_taf": 34,
|
870 |
+
"model.feature_embedder.tf_dim": 21,
|
871 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
872 |
+
"model.structure_module.ipa_scalar_bias": false,
|
873 |
+
"model.structure_module.position_scale": 20,
|
874 |
+
"model.structure_module.separate_kv": true,
|
875 |
+
"model.template_pair_stack.attention_first": false
|
876 |
+
},
|
877 |
+
"model_5_multimer_v2": {
|
878 |
+
"data.transform.common.max_extra_msa": {
|
879 |
+
"eval": 1152,
|
880 |
+
"finetune": 1152,
|
881 |
+
"predict": 1152,
|
882 |
+
"train": 1152
|
883 |
+
},
|
884 |
+
"data.transform.common.max_msa_clusters": {
|
885 |
+
"eval": 128,
|
886 |
+
"finetune": 512,
|
887 |
+
"predict": 252,
|
888 |
+
"train": 128
|
889 |
+
},
|
890 |
+
"globals.is_multimer": true,
|
891 |
+
"globals.use_templates": true,
|
892 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
893 |
+
"model.auxiliary_heads.tm_enabled": true,
|
894 |
+
"model.evoformer_stack.opm_first": true,
|
895 |
+
"model.extra_msa_stack.opm_first": true,
|
896 |
+
"model.feature_embedder.c_taf": 34,
|
897 |
+
"model.feature_embedder.tf_dim": 21,
|
898 |
+
"model.loss.supervised_chi_loss.weight": 3.0,
|
899 |
+
"model.structure_module.ipa_scalar_bias": false,
|
900 |
+
"model.structure_module.position_scale": 20,
|
901 |
+
"model.structure_module.separate_kv": true,
|
902 |
+
"model.template_pair_stack.attention_first": false
|
903 |
+
},
|
904 |
+
"model_5_multimer_v3": {
|
905 |
+
"data.transform.common.max_extra_msa": {
|
906 |
+
"eval": 1152,
|
907 |
+
"finetune": 1152,
|
908 |
+
"predict": 1152,
|
909 |
+
"train": 1152
|
910 |
+
},
|
911 |
+
"data.transform.common.max_msa_clusters": {
|
912 |
+
"eval": 128,
|
913 |
+
"finetune": 512,
|
914 |
+
"predict": 508,
|
915 |
+
"train": 128
|
916 |
+
},
|
917 |
+
"globals.is_multimer": true,
|
918 |
+
"globals.use_templates": true,
|
919 |
+
"model.auxiliary_heads.masked_msa_head_c_out": 22,
|
920 |
+
"model.auxiliary_heads.tm_enabled": true,
|
921 |
+
"model.evoformer_stack.fused": true,
|
922 |
+
"model.evoformer_stack.opm_first": true,
|
923 |
+
"model.extra_msa_stack.fused": true,
|
924 |
+
"model.extra_msa_stack.opm_first": true,
|
925 |
+
"model.feature_embedder.c_taf": 34,
|
926 |
+
"model.feature_embedder.tf_dim": 21,
|
927 |
+
"model.structure_module.ipa_scalar_bias": false,
|
928 |
+
"model.structure_module.position_scale": 20,
|
929 |
+
"model.structure_module.separate_kv": true,
|
930 |
+
"model.template_pair_stack.attention_first": false
|
931 |
+
},
|
932 |
+
"model_5_ptm": {
|
933 |
+
"model.auxiliary_heads.tm_enabled": true
|
934 |
+
}
|
935 |
+
},
|
936 |
+
"_config": null,
|
937 |
+
"architectures": [
|
938 |
+
"STFold"
|
939 |
+
],
|
940 |
+
"mode": "predict",
|
941 |
+
"model_type": "STFold",
|
942 |
+
"stfold_type": "model_5",
|
943 |
+
"torch_dtype": "float32",
|
944 |
+
"transformers_version": "4.31.0.dev0"
|
945 |
+
}
|
model_5/pytorch_model.bin
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
2 |
+
oid sha256:a99d149c58e32acea75595a6ae951f36c9244ae2d5011a61c6477d0b6ef27327
|
3 |
+
size 373385580
|