openforcefield/

descent-format-spice

	Dataset Card for Meta-OMol25 Descent Formatted SPICE2 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 Initiative… See the full description on the dataset page: https://huggingface.co/datasets/openforcefield/descent-format-spice.