mao jiashun
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Update iupac-gpt/README.md
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iupac-gpt/README.md
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## Examples
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Adapter training for molecular property prediction
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(replace `data/
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respectively):
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```shell
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python3 scripts/classification.py checkpoints/benchmark-5m data/
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```
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For language model pretraining, see
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## Citation
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If you use `smiles-gpt` in your research, please consider citing
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> https://doi.org/10.33774/chemrxiv-2021-5fwjd
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## Examples
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Adapter training for molecular property prediction
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(replace `data/iupacs_logp.csv` and `LogP` arguments with your dataset and taskname(s),
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respectively):
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```shell
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python3 scripts/classification.py checkpoints/benchmark-5m data/iupacs_logp.csv LogP
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```
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For language model pretraining, see
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iupac-gpt\notebooks: iupac_language-modeling_train.py
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