Spaces:
Running
on
T4
Running
on
T4
simonduerr
commited on
Commit
•
c10a0ce
1
Parent(s):
e4eb08d
Update app.py
Browse files
app.py
CHANGED
@@ -1268,8 +1268,8 @@ with proteinMPNN:
|
|
1268 |
minimum=1, maximum=15, value=1, step=1, label="Number of sequences"
|
1269 |
)
|
1270 |
sampling_temp = gr.Radio(
|
1271 |
-
choices=[0.1, 0.15, 0.2, 0.25, 0.3],
|
1272 |
-
value=0.1,
|
1273 |
label="Sampling temperature",
|
1274 |
)
|
1275 |
gr.Markdown(
|
@@ -1290,7 +1290,7 @@ with proteinMPNN:
|
|
1290 |
value="vanilla—v_48_020",
|
1291 |
)
|
1292 |
backbone_noise = gr.Dropdown(
|
1293 |
-
choices=[0, 0.02, 0.10, 0.20, 0.30], label="Backbone noise", value=0
|
1294 |
)
|
1295 |
with gr.Row():
|
1296 |
homomer = gr.Checkbox(value=False, label="Homomer?")
|
@@ -1337,17 +1337,17 @@ with proteinMPNN:
|
|
1337 |
atomsel,
|
1338 |
],
|
1339 |
samples=[
|
1340 |
-
["Homomer design", "1O91", "A,B,C", "", True, 2, 0.1, ""],
|
1341 |
-
["Monomer design", "6MRR", "A", "", False, 2, 0.1, ""],
|
1342 |
-
["Redesign of Homomer to Heteromer", "3HTN", "A,B", "C", False, 2, 0.1, ""],
|
1343 |
[
|
1344 |
"Redesign of MID1 scaffold keeping binding site fixed",
|
1345 |
"3V1C",
|
1346 |
"A,B",
|
1347 |
"",
|
1348 |
False,
|
1349 |
-
2,
|
1350 |
-
0.1,
|
1351 |
"within 5 of resname ZN",
|
1352 |
],
|
1353 |
[
|
@@ -1356,8 +1356,8 @@ with proteinMPNN:
|
|
1356 |
"A,B",
|
1357 |
"",
|
1358 |
False,
|
1359 |
-
2,
|
1360 |
-
0.1,
|
1361 |
"within 8 of nucleic",
|
1362 |
],
|
1363 |
[
|
@@ -1366,8 +1366,8 @@ with proteinMPNN:
|
|
1366 |
"A,B",
|
1367 |
"",
|
1368 |
False,
|
1369 |
-
2,
|
1370 |
-
0.1,
|
1371 |
"chain B or (chain A and sasa < 20)",
|
1372 |
],
|
1373 |
],
|
@@ -1407,7 +1407,7 @@ with proteinMPNN:
|
|
1407 |
visible=False,
|
1408 |
)
|
1409 |
num_recycles = gr.Dropdown(
|
1410 |
-
choices=[0, 1, 3, 5], value=3, label="num Recycles"
|
1411 |
)
|
1412 |
btnAF = gr.Button("Run AlphaFold on all sequences")
|
1413 |
with gr.Row():
|
|
|
1268 |
minimum=1, maximum=15, value=1, step=1, label="Number of sequences"
|
1269 |
)
|
1270 |
sampling_temp = gr.Radio(
|
1271 |
+
choices=["0.1", "0.15", "0.2", "0.25", "0.3"],
|
1272 |
+
value="0.1",
|
1273 |
label="Sampling temperature",
|
1274 |
)
|
1275 |
gr.Markdown(
|
|
|
1290 |
value="vanilla—v_48_020",
|
1291 |
)
|
1292 |
backbone_noise = gr.Dropdown(
|
1293 |
+
choices=["0", "0.02", "0.10", "0.20", "0.30"], label="Backbone noise", value="0"
|
1294 |
)
|
1295 |
with gr.Row():
|
1296 |
homomer = gr.Checkbox(value=False, label="Homomer?")
|
|
|
1337 |
atomsel,
|
1338 |
],
|
1339 |
samples=[
|
1340 |
+
["Homomer design", "1O91", "A,B,C", "", True, "2", "0.1", ""],
|
1341 |
+
["Monomer design", "6MRR", "A", "", False, "2", "0.1", ""],
|
1342 |
+
["Redesign of Homomer to Heteromer", "3HTN", "A,B", "C", False, "2", "0.1", ""],
|
1343 |
[
|
1344 |
"Redesign of MID1 scaffold keeping binding site fixed",
|
1345 |
"3V1C",
|
1346 |
"A,B",
|
1347 |
"",
|
1348 |
False,
|
1349 |
+
"2",
|
1350 |
+
"0.1",
|
1351 |
"within 5 of resname ZN",
|
1352 |
],
|
1353 |
[
|
|
|
1356 |
"A,B",
|
1357 |
"",
|
1358 |
False,
|
1359 |
+
"2",
|
1360 |
+
"0.1",
|
1361 |
"within 8 of nucleic",
|
1362 |
],
|
1363 |
[
|
|
|
1366 |
"A,B",
|
1367 |
"",
|
1368 |
False,
|
1369 |
+
"2",
|
1370 |
+
"0.1",
|
1371 |
"chain B or (chain A and sasa < 20)",
|
1372 |
],
|
1373 |
],
|
|
|
1407 |
visible=False,
|
1408 |
)
|
1409 |
num_recycles = gr.Dropdown(
|
1410 |
+
choices=["0", "1", "3", "5"], value="3", label="num Recycles"
|
1411 |
)
|
1412 |
btnAF = gr.Button("Run AlphaFold on all sequences")
|
1413 |
with gr.Row():
|