| accelerator: ddp | |
| batch_size: 64 | |
| beam_size: 0 | |
| checkpoint_every: 5000 | |
| clip_grad: 50 | |
| config_load: null | |
| config_save: null | |
| d_dropout: 0.2 | |
| data_path: '' | |
| data_root: /dccstor/medscan7/smallmolecule/runs/ba-predictor/small-data/affinity | |
| dataset_length: null | |
| dataset_name: sol | |
| debug: true | |
| device: cuda | |
| dropout: 0.1 | |
| eval_every: 1000 | |
| fast_dev_run: false | |
| fc_h: 512 | |
| finetune_path: '' | |
| freeze_model: false | |
| from_scratch: false | |
| gen_save: null | |
| gpus: 8 | |
| grad_acc: 1 | |
| log_file: null | |
| lr: 0.001 | |
| lr_end: 0.00030000000000000003 | |
| lr_multiplier: 8 | |
| lr_start: 3.0e-05 | |
| max_epochs: 4 | |
| max_len: 202 | |
| measure_name: measure | |
| min_len: 1 | |
| mode: cls | |
| model_arch: BERT_16GPU_Both_10percent_rotate_no_masking | |
| model_load: null | |
| model_save: model.pt | |
| model_save_dir: ./models_dump/ | |
| n_batch: 1800 | |
| n_embd: 768 | |
| n_head: 12 | |
| n_jobs: 1 | |
| n_last: 1000 | |
| n_layer: 12 | |
| n_samples: null | |
| n_workers: 8 | |
| nucleus_thresh: 0.9 | |
| num_epoch: 1 | |
| num_feats: 32 | |
| num_nodes: 1 | |
| num_seq_returned: 0 | |
| num_workers: 0 | |
| pretext_size: 0 | |
| q_dropout: 0.5 | |
| restart_path: '' | |
| resume: false | |
| root_dir: . | |
| rotate: true | |
| seed: 12345 | |
| smiles_embedding: /dccstor/medscan7/smallmolecule/runs/ba-predictor/small-data/embeddings/protein/ba_embeddings_tanh_512_2986138_2.pt | |
| tb_loc: null | |
| train_load: both | |
| unlike_alpha: 1.0 | |
| unlikelihood: false | |
| use_linear: 0 | |
| val_load: null | |
| vocab_load: null | |
| vocab_save: null | |