SDEGen drugs data

Published March 5, 2023 | Version v1

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Training, valuation, and test split of Drugs for SDEGen model.

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test_data_200.pkl md5:878e9b69c1e99ae6b7921d7e55962f92	91.9 MB	Download
train_data_39k.pkl md5:744caf8d3f6ed006567151a5524f09e7	1.3 GB	Download
val_data_5k.pkl md5:31cf23716ded299ef2c34efc440d4ff1	160.6 MB	Download

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Journal article

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Zenodo

Published in

SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation, 2023.

License: Creative Commons Attribution 4.0 International

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