Preprocessed GEOM-Drugs Dataset

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Ameya Daigavane, Tess Smidt
DOI: 10.5281/zenodo.18484633
Cited by: 0

Abstract

Preprocessed GEOM-Drugs dataset from MiDi (Vignac et al, 2025) for fast loading. Intended for use with the atomic-datasets library.

Fields of Study & Subjects

Computational Drug Discovery Methods Machine Learning in Materials Science Advanced Chemical Physics Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
4 February 2026
Document type
Dataset