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Running
on
Zero
Running
on
Zero
| augment_eps: 0.0 | |
| num_encoder_layers: 10 | |
| hidden_dim: 128 | |
| node_features: 128 | |
| edge_features: 128 | |
| k_neighbors: 30 | |
| dropout: 0.1 | |
| att_output_mlp: true | |
| node_output_mlp: true | |
| Ca_Ca: 1 | |
| Ca_C: 1 | |
| Ca_N: 1 | |
| Ca_O: 1 | |
| C_C: 1 | |
| C_N: 1 | |
| C_O: 1 | |
| N_N: 1 | |
| N_O: 1 | |
| O_O: 1 | |
| updating_edges: 4 | |
| node_dist: 1 | |
| node_angle: 1 | |
| node_direct: 1 | |
| edge_dist: 1 | |
| edge_angle: 1 | |
| edge_direct: 1 | |
| virtual_num: 3 | |
| fix_gnn: 1 | |
| fix_esm: 1 | |
| recycle_n: 6 | |
| msa_n: 2 | |
| temporature: 0.05 | |
| tunning_layers_n: 4 | |
| tunning_layers_dim: 256 | |
| tunning_dropout: 0.1 | |
| input_design_dim: 128 | |
| input_esm_dim: 1280 | |
| use_LM: 1 | |
| use_gearnet: 0 | |
| use_esmif: 1 | |
| load_memory: 1 | |
| use_confembed: 1 | |
| dihedral_type: 0 | |
| NAT: 3 | |
| node_net: AttMLP | |
| edge_net: EdgeMLP | |
| node_context: 1 | |
| edge_context: | |
| - 0 | |
| autoregressive: 0 | |
| AT_layer_num: 3 | |
| use_gvp_feat: 0 | |
| num_decoder_layers1: 3 | |
| kernel_size1: 3 | |
| act_type: silu | |
| num_decoder_layers2: 3 | |
| kernel_size2: 3 | |
| glu: 0 | |
| load_epoch: 4 | |
| # method: 'KWDesign' | |
| # hidden_dim: 128 | |
| # node_features: 128 | |
| # edge_features: 128 | |
| # k_neighbors: 30 | |
| # # k_neighbors: 48 | |
| # dropout: 0.1 | |
| # # att_output_mlp: True | |
| # # node_output_mlp: True | |
| # num_encoder_layers: 10 | |
| # Ca_Ca: 1 | |
| # Ca_C: 1 | |
| # Ca_N: 1 | |
| # Ca_O: 1 | |
| # C_C: 1 | |
| # C_N: 1 | |
| # C_O: 1 | |
| # N_N: 1 | |
| # N_O: 1 | |
| # O_O: 1 | |
| # updating_edges: 4 | |
| # node_dist: 1 | |
| # node_angle: 1 | |
| # node_direct: 1 | |
| # edge_dist: 1 | |
| # edge_angle: 1 | |
| # edge_direct: 1 | |
| # virtual_num: 3 | |
| # fix_gnn: 1 | |
| # fix_esm: 1 | |
| # recycle_n: 3 | |
| # msa_n: 2 | |
| # temporature: 0.05 | |
| # tunning_layers_n: 4 | |
| # tunning_layers_dim: 256 | |
| # tunning_dropout: 0.1 | |
| # input_design_dim: 128 | |
| # input_esm_dim: 1280 | |
| # use_LM: 1 | |
| # use_gearnet: 0 | |
| # use_esmif: 1 | |
| # load_memory: 1 | |
| # use_confembed: 1 | |
| # att_output_mlp: True | |
| # node_output_mlp: True | |
| # dihedral_type: 0 | |
| # NAT: 3 | |
| # node_net: 'AttMLP' | |
| # edge_net: 'EdgeMLP' | |
| # node_context: 1 | |
| # edge_context: 0, | |
| # autoregressive: 0 | |
| # AT_layer_num: 3 | |
| # use_gvp_feat: 0 | |
| # num_decoder_layers1: 3 | |
| # kernel_size1: 3 | |
| # act_type: 'silu' | |
| # num_decoder_layers2: 3 | |
| # kernel_size2: 3 | |
| # glu: 0 | |
| # load_epoch: 4 | |
| # epoch: 5 | |
| # batch_size: 32 | |
| # lr: 0.001 | |
| # patience: 100 |