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openforcefield / qca-dataset-submission Public

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Update sulfur hessian dataset with create_basic_dataset#403

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ntBre merged 3 commits intomasteropenforcefield/qca-dataset-submission:masterfrom sulfur-hess-v1.1openforcefield/qca-dataset-submission:sulfur-hess-v1.1Copy head branch name to clipboard

Nov 12, 2024

+691

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Commits on Nov 8, 2024

update sulfur hessian dataset with create_basic_dataset
ntBre
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update main readme
ntBre
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update date
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