delete model

model/low_energy/checkpoints/config.yaml

@@ -1,34 +0,0 @@
-batch_size: 1000
-epochs: 3500
-eval_every_n_epochs: 5
-smilesmodel_finetune: False
-smilesmodel_finetune_path: "/public/home/hpc212307003/molclr_cnn/nist_w2v/pretrained_gin/checkpoints/model.pth"
-fine_tune_from: "/home/xieting/graph_transformer_esa/runs/dem4_esa_4.5_10/"
-log_every_n_steps: 2
-learning_rate: 1e-05
-weight_decay: 0.0001
-fp16_precision: True
-truncation: True
-
-model_config:
-  num_layer: 5
-  emb_dim: 300
-  feat_dim: 512
-  drop_ratio: 0.3
-  pool : mean
-  spec_embed_dim: 256
-  dropout: 0.1
-  layers: 3
-  embed_dim: 256
-  
-dataset:
-  s: 1
-  num_workers: 0
-  valid_size: 0.1
-  ms2_file: "/home/xieting/cl_data/hcd3_0.01test/train_hcd_posh_10.mgf"
-  smi_file: "/home/xieting/cl_data/hcd3_0.01test/train_hcd_posh_10_smi.npy"
-
-loss:
-  temperature: 0.1
-  use_cosine_similarity: True
-  alpha_weight: 0.75