run the model with GT_0.0_1.pth.
parameter:
args["batch_size"] = 128
rgs["dist_threhold"] = 5.0
args['device'] = 'cuda:6' if th.cuda.is_available() else 'cpu'
print(f"""{args['device']}""")
args["num_workers"] = 10
args["num_node_featsp"] = 41
args["num_node_featsl"] = 41
args["num_edge_featsp"] = 5
args["num_edge_featsl"] = 10
args["hidden_dim0"] = 128
args["hidden_dim"] = 128
args["n_gaussians"] = 10
args["dropout_rate"] = 0.15
genscore.scoring paramter cut=5.0
dekios2.0x test data:
protein and ref-ligand dir: aurka_prot
dekios2.0x decoys and actives dir:
aurka_decoys_SP
aurka_actives_SP
average auc is:0.593.
can you help me what's parameter Caused difference
run the model with GT_0.0_1.pth.
parameter:
args["batch_size"] = 128
rgs["dist_threhold"] = 5.0
args['device'] = 'cuda:6' if th.cuda.is_available() else 'cpu'
print(f"""{args['device']}""")
args["num_workers"] = 10
args["num_node_featsp"] = 41
args["num_node_featsl"] = 41
args["num_edge_featsp"] = 5
args["num_edge_featsl"] = 10
args["hidden_dim0"] = 128
args["hidden_dim"] = 128
args["n_gaussians"] = 10
args["dropout_rate"] = 0.15
genscore.scoring paramter cut=5.0
dekios2.0x test data:
protein and ref-ligand dir: aurka_prot
dekios2.0x decoys and actives dir:
aurka_decoys_SP
aurka_actives_SP
average auc is:0.593.
can you help me what's parameter Caused difference