/tools/geom
geom
learningmatter-mit/geom
239 stars32 forksJupyter NotebookAdded February 5, 2026
summary
GEOM is a dataset containing 37 million molecular conformations annotated by energy and statistical weight for over 450,000 molecules. It is designed for use in property prediction and molecular generation, providing essential data for researchers in computational chemistry.
description
GEOM: Energy-annotated molecular conformations
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