Preprocessed ChEMBL3D Dataset

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

Read full text
Authors: Ameya Daigavane, Tess Smidt
DOI: 10.5281/zenodo.18488049
Cited by: 0

Abstract

Preprocessed ChEMBL3D dataset from LoQI (Nikitin et al, 2025) for fast loading without PyTorch dependencies. 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