[QUESTION]: Save model at each epoch

What are you trying to do? I am trying to save the model at certain number of epochs.

Previous attempts I could not find any argument in the documentation to accomplish it.

What would be a way to do it? Inspecting the structure of the final directory after training contains the final .pt.

Thanks.

[shihchengli]

        # Save each epoch
        epoch_save_dir = os.path.join(save_dir, 'epochs', f'{epoch}')
        makedirs(epoch_save_dir)
        save_checkpoint(os.path.join(epoch_save_dir, MODEL_FILE_NAME), model, scaler,
                        features_scaler, atom_descriptor_scaler, bond_feature_scaler, args)

@muammar If you are still interested in saving model of each epoch, you can add the above code at L310 in train/run_training.py.

[shihchengli]

@muammar Thanks for this suggestion. We think it doesn’t hurt to have this option in Chemprop. Actually, one of the developers has already done this before in a branch. If you are interested in adding this feature and making a PR, that would be great!