Spice in xyz format
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资源简介：
Spice dataset (version 2.0.1) converted to xyz. Charged molecules are filtered out.Formation energies and forces are avaliable in eV and eV/angstrom, respectively.As suggested in numerous places, any conformation with at least one force component greater than 1 Hartree/Bohr is filtered out.
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Zenodo创建时间：
2024-06-29
