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openforcefield/descent-format-geom

Dataset Card for Meta-OMol25 Descent Formatted GEOM v1.0 Dataset Details Dataset Description Meta-OMol25 provides molecular structures, coordinates, energies, and forces, and we derived mapped SMILES for broad OpenFF parameter fitting workflows. This release is designed for general fitting and evaluation of van der Waals and valence terms. Curated by: Jennifer A Clark; jaclark5 Funded by: Open Force Field Initiative Shared by: Open Force Field… See the full description on the dataset page: https://huggingface.co/datasets/openforcefield/descent-format-geom.

sourceHugging Facecc-by-4.0updated 6mo agoView on Hugging Face

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