/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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