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Cheminformatics and computational chemistry tools and workflows based on the OpenChemLib

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Java CI with Maven

leet-chem

Cheminformatics and computational chemistry tools and workflows based on the OpenChemLib

leet-deep

Our deep learning conformer generator deepspace-2 learns to walk :)

conformer_generator_deepspace2_01_small.mp4

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Cheminformatics and computational chemistry tools and workflows based on the OpenChemLib

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