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SPICE 2.0.1

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@peastman peastman released this 15 Apr 20:17
· 1 commit to main since this release
b99b3f4

This is a minor update. It removes about 500 conformations from the PubChem Boron SIlicon subset in which bonds broke during conformation generation (#99).

The dataset can be downloaded from https://doi.org/10.5281/zenodo.10975225.