| model: | |
| type: diffab | |
| res_feat_dim: 128 | |
| pair_feat_dim: 64 | |
| diffusion: | |
| num_steps: 100 | |
| eps_net_opt: | |
| num_layers: 6 | |
| train_structure: true | |
| train_sequence: true | |
| train: | |
| loss_weights: | |
| rot: 1.0 | |
| pos: 1.0 | |
| seq: 1.0 | |
| max_iters: 450000 | |
| val_freq: 1000 | |
| batch_size: 1 | |
| seed: 2023 | |
| max_grad_norm: 100.0 | |
| optimizer: | |
| type: adam | |
| lr: 1.e-3 | |
| weight_decay: 0.0 | |
| beta1: 0.9 | |
| beta2: 0.999 | |
| scheduler: | |
| type: plateau | |
| factor: 0.8 | |
| patience: 10 | |
| min_lr: 5.e-6 | |
| dataset: | |
| train: | |
| type: sabdab | |
| summary_path: ./data/sabdab_summary_all.tsv | |
| chothia_dir: ./data/all_structures/chothia | |
| processed_dir: ./data/processedHu | |
| split: train | |
| transform: | |
| - type: mask_single_cdr | |
| - type: merge_chains | |
| - type: patch_around_anchor | |
| val: | |
| type: sabdab | |
| summary_path: ./data/sabdab_summary_all.tsv | |
| chothia_dir: ./data/all_structures/chothia | |
| processed_dir: ./data/processedHu | |
| split: val | |
| transform: | |
| - type: mask_single_cdr | |
| selection: CDR3 | |
| - type: merge_chains | |
| - type: patch_around_anchor | |