| all_atoms: True |
| accum_steps: 1 |
| bond_loss: False |
| cache_path: data_6cm4/cache |
| c_alpha_max_neighbors: 24 |
| cudnn_benchmark: True |
| data_dir: data_6cm4/pair_processing |
| esm_embeddings_path: data_6cm4/train_esm_embeddings_90k.pt |
| log_dir: ckpts |
| max_receptor_size: 2000 |
| num_steps: 100000 |
| num_dataloader_workers: 8 |
| num_workers: 8 |
| pdb_esm_embeddings_sequences_path: data_6cm4/train_sequences_to_id.fasta |
| receptor_radius: 15 |
| remove_hs: True |
| run_name: edm_4M_100k_6cm4_lr |
| scheduler: linear_decay |
| test_sigma_intervals: True |
| use_ema: ema |
| train_pair_csv: data_6cm4/pair_processing/train.csv |
| val_esm_embeddings_path: data_6cm4/val_esm_embeddings_5k.pt |
| val_pair_csv: data_6cm4/pair_processing/val.csv |
| val_pdb_esm_embeddings_sequences_path: data_6cm4/val_sequences_to_id.fasta |
| ckpt_step: 5000 |
| decay_steps: 25000 |
| prefetch_factor: 2 |
| loss_name: EDMLoss |
| ckpt_path: ckpts/edm_4M_100k_steps_finetune430k_cont/model_50000.pth |
