GEOM Dataset Card
A comprehensive dataset card for the Geometric Ensemble Of Molecules (GEOM) dataset - 37 million energy-annotated molecular conformations for machine …
Computational-Chemistry-2022
1 post tagged with computational-chemistry-2022.
1 post tagged with computational-chemistry-2022.
A comprehensive dataset card for the Geometric Ensemble Of Molecules (GEOM) dataset - 37 million energy-annotated molecular conformations for machine …