rkakamilan
/ OE_toandfrom_RDK.ipynb
Created
June 20, 2023 23:36
— forked from bannanc/OE_toandfrom_RDK.ipynb
This is a jupyter notebook explaining how to convert molecules in OpenEye toolkits to the equivalent molecule in RDKit going both directions between toolkits.
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rkakamilan
/ sanity_checks_for_QSAR_explainability.ipynb
Created
January 28, 2020 01:37
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rkakamilan
/ explainable_images_for_mols_SimilarityMaps_FI_SHAP.ipynb
Last active
July 15, 2022 13:54
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rkakamilan
/ explainable_images_for_mols_chainer-chemistry.ipynb
Created
January 13, 2020 08:27
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rkakamilan
/ explainable_images_for_mols.ipynb
Created
December 13, 2019 19:11
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