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Possible bug in model initialization (num_decoder_layers)
Hello ProteinMPNN team,
First of all, thank you for releasing such an excellent tool and dataset — it has been very helpful in my work.
While reading through the code, I noticed what might be a small bug in the model initialization.
In the training script, the ProteinMPNN class is instantiated as follows:
model = ProteinMPNN(
node_features=args.hidden_dim,
edge_features=args.hidden_dim,
hidden_dim=args.hidden_dim,
num_encoder_layers=args.num_encoder_layers,
num_decoder_layers=args.num_encoder_layers, # <--- here
k_neighbors=args.num_neighbors,
dropout=args.dropout,
augment_eps=args.backbone_noise,
)Here, num_decoder_layers is set to args.num_encoder_layers.
However, based on the argument parser (--num_decoder_layers) defined in the repo, it seems the intended behavior should be:
num_decoder_layers=args.num_decoder_layersThis way, users can independently control the number of encoder and decoder layers.
Thanks again for making ProteinMPNN available to the community!
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