ProtHGT / data /models /ec /prothgt-ec-config.yaml
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add ec number prediction backend with model and config
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{
"lr": 0.001,
"mlp_lr": 0.005,
"wd": 5e-05,
"mlp_wd": 0.0,
"epochs": 80,
"tr_batch_size": 1024,
"hidden_channels": 256,
"num_heads": 16,
"num_layers": 2,
"num_neighbors": [32],
"disjoint_train_ratio": 0.3,
"mlp_dropout": 0.1,
"grad_clip_norm": 5.0,
"eval_threshold": 0.5,
"neg_sampling_ratio_l1": 6,
"pos_weight_l1": 6,
"neg_sampling_ratio_l2": 70,
"pos_weight_l2": 70,
"neg_sampling_ratio_l3": 100,
"pos_weight_l3": 100,
"neg_sampling_ratio_l4": 100,
"pos_weight_l4": 100,
"test_on_cpu": true,
"checkpoint_interval": 20,
"val_eval_num_proteins": 500
}