| filename: stage3_test | |
| seed: 0 | |
| mode: eval | |
| strategy_name: deepspeed | |
| use_3d: true | |
| accelerator: gpu | |
| devices: 0,1 | |
| precision: bf16-mixed | |
| max_steps: 40000 | |
| accumulate_grad_batches: 8 | |
| enable_flash: true | |
| gin_hidden_dim: 300 | |
| gin_num_layers: 5 | |
| drop_ratio: 0.0 | |
| tune_gnn: false | |
| bert_hidden_dim: 768 | |
| bert_name: scibert | |
| cross_attention_freq: 2 | |
| num_query_token: 8 | |
| llm_model: llama-2-hf-7b | |
| num_beams: 5 | |
| do_sample: false | |
| max_len: 64 | |
| min_len: 4 | |
| llm_tune: lora | |
| peft_config: null | |
| peft_dir: '' | |
| every_n_train_steps: 5000 | |
| load_in_8bit: false | |
| lora_r: 8 | |
| lora_alpha: 32 | |
| lora_dropout: 0.1 | |
| weight_decay: 0.05 | |
| init_lr: 1.0e-05 | |
| min_lr: 1.0e-08 | |
| warmup_lr: 1.0e-06 | |
| warmup_steps: 1000 | |
| scheduler: linear_warmup_cosine_lr | |
| stage2_path: '' | |
| stage3_path: all_checkpoints/stage3/step=40000.ckpt | |
| init_checkpoint: '' | |
| num_workers: 8 | |
| batch_size: 8 | |
| inference_batch_size: 8 | |
| root: data/3d-mol-dataset | |
| text_max_len: 384 | |
| unimol_encoder_layers: 15 | |
| unimol_encoder_embed_dim: 512 | |
| unimol_encoder_ffn_embed_dim: 2048 | |
| unimol_encoder_attention_heads: 64 | |
| unimol_activation_fn: gelu | |
| unimol_emb_dropout: 0.1 | |
| unimol_dropout: 0.1 | |
| unimol_attention_dropout: 0.1 | |
| unimol_activation_dropout: 0.0 | |
| unimol_max_seq_len: 512 | |
| unimol_delta_pair_repr_norm_loss: -1.0 | |
| unimol_max_atoms: 256 | |