GEOM Dataset Card
A comprehensive dataset card for the Geometric Ensemble Of Molecules (GEOM) dataset - 37 million energy-annotated molecular conformations for machine …
Molecular-Conformations
2 posts tagged with molecular-conformations.
Beyond 2D: Exploring the GEOM Dataset for 3D Molecular Conformer Generation
Learn how GEOM transforms 2D molecular graphs into dynamic 3D conformer ensembles for molecular machine learning applications.