Odor Prediction

In fact these are some methods for data processing.

predict: do molecular prediction.
predicti_single_mol: predict molecules which are given by list.
transform_model: transform the pytorch model and make it avalibale in lower pytorch versions (like 0.4.1 or 0.2.0).
prepare_data_*: prepare dataset for base models.

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
models		models
README.md		README.md
generate_dataset_confirm.ipynb		generate_dataset_confirm.ipynb
predict.py		predict.py
predict_single_mol.ipynb		predict_single_mol.ipynb
prepare_data_jtnn.ipynb		prepare_data_jtnn.ipynb
prepare_data_mcgan.ipynb		prepare_data_mcgan.ipynb
transform_model.ipynb		transform_model.ipynb

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