data/model/test_1662741320_config.json

{"fingerprint_type": "maccs+morganc+topologicaltorsion+erg+atompair+pattern+rdkc+layered+mhfp", "template_fp_type": "maccs+morganc+topologicaltorsion+erg+atompair+pattern+rdkc+layered+mhfp", "num_templates": 11800, "fp_size": 10000, "fp_radius": 2, "device": "cuda:0", "batch_size": 128, "pooling_operation_state_embedding": "mean", "pooling_operation_head": "max", "dropout": 0.2, "lr": 0.0005, "optimizer": "Adam", "activation_function": "ReLU", "verbose": false, "hopf_input_size": 10000, "hopf_output_size": null, "hopf_num_heads": 1, "hopf_asso_dim": 512, "hopf_association_activation": "None", "hopf_beta": 0.05, "norm_input": true, "norm_asso": true, "hopf_n_layers": 0, "mol_encoder_layers": 1, "temp_encoder_layers": 1, "encoder_af": "ReLU", "hopf_pooling_operation_head": "mean"}