Scientific Data (Apr 2022)

GEOM, energy-annotated molecular conformations for property prediction and molecular generation

Simon Axelrod,
Rafael Gómez-Bombarelli

Affiliations

Simon Axelrod: Harvard University, Department of Chemistry and Chemical Biology
Rafael Gómez-Bombarelli: Massachusetts Institute of Technology, Department of Materials Science and Engineering

DOI: https://doi.org/10.1038/s41597-022-01288-4
Journal volume & issue: Vol. 9, no. 1
pp. 1 – 14

Abstract

Measurement(s) Conformer geometries and properties Technology Type(s) Computational Chemistry

Published in Scientific Data

ISSN: 2052-4463 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/sdata/

About the journal