ClassicalGSG logP dataset
收藏Zenodo2021-02-10 更新2026-05-25 收录
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https://zenodo.org/record/4530982
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资源简介：
This dataset includes small molecules which were used in our paper "ClassicalGSG: Prediction of logP Using Classical Molecular Force Fields and Geometric Scattering for Graph." It contains multiple test and training sets where each set includes mol2, CGenFF parameter (str), GAFF parameter, and logP value files of the molecules.
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Zenodo创建时间：
2021-02-10
