DiffDock-Pocket

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Methods for Evaluating Performance on the Test Set of PDBBind

1

Thank you for your excellent work! I am looking for the code to reproduce the results presented in Tables 1 and 2 of the paper. However, I have been unable...

fengshikun

The train loss cannot convergence

14

Hello, I've been attempting to train the score model using the command from the README file. However, I've noticed that the loss doesn't seem to converge. Could you please help...

fengshikun

Question about Training Data Cutoff Date for Model Checkpoints

2

Thanks for your great work! I found the following description to the training data in the paper: "with a time-based split and a mixture of crystal and ESMFold2 generated structures.",...

nwod-edispu

Cannot have more than 999 residues

2

When running a large system numbered up to 1074 residues, I get the following error during ESM embeddding: Loading complexes: 0%| | 0/2 [00:00

fahmed00