deepmodeling / deepmodeling/Uni-Mol
Error when finetuning the model with MolTrain in unimol_tools
- Dominant language
- Python
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Description
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?
Contributor guide
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Research direction
Start by reproducing the shown MolTrain.fit call with the repository's demo-format CSV containing SMILES and TARGET columns. Inspect the MolTrain finetuning entry point and capture the complete error text from the image; done means identifying the cause and confirming that valid input can complete finetuning or that the issue is clearly documented.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 30/100