ECHO - Enhanced Chemistry Optimization

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

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Authors: Unknown
DOI: 10.5281/zenodo.18567068
Cited by: 0

Abstract

ECHO dataset and analysis pipeline including molecular augmentation, MMPA analysis, cluster RMSD analysis, model validation, and chemical space exploration notebooks with associated data.

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
9 February 2026
Document type
Dataset