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

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

Bibliographic Details
Main Authors: Simon Axelrod, Rafael Gómez-Bombarelli
Format: Article
Language:English
Published: Nature Portfolio 2022-04-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-022-01288-4