GEOM-Drugs
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资源简介：
This is the GEOM-Drugs dataset; specifically the exact data used to train FlowMol. It is derived from the GEOM dataset (https://doi.org/10.1038/s41597-022-01288-4). GEOM-Drugs is a subset of GEOM. The particular splits were originally created by Clement Vignac for the Midi paper (https://github.com/cvignac/MiDi)
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Zenodo创建时间：
2026-03-21
