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Last active May 6, 2024 12:38
rdkit-clustering-conformation-generation

Do Deep Learning Methods Really Perform Better in Molecular Conformation Generation?

[arXiv]

Authors: Gengmo Zhou, Zhifeng Gao, Zhewei Wei, Hang Zheng, Guolin Ke

We revisit the benchmark after simple traditional algorithms beat deep learning methods in conformation generation.

Data