Error when finetuning the model with MolTrain in unimol_tools

I gets this error when trying to finetune the model with clf = MolTrain(task='classification', data_type='molecule', epochs=30, batch_size=64, metrics='auc', split='random', learning_rate=1e-5, save_path='./exp' ) pred = clf.fit(datapath)

My input csv has the same format as the demo in this repo (two columns named 'SMILES' and 'TARGET').

Could you suggest some possible reasons for this error?

Hi Monica, This error is caused by model training failure, you can check your data or remove this try catch for debug.

https://github.com/dptech-corp/Uni-Mol/blob/main/unimol_tools/unimol_tools/models/nnmodel.py#L118