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Theoretical and Computational Chemistry

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Last 3 years

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scikit-learn

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2 results in Keywords: scikit-learn

Theoretical and Computational Chemistry

MolPipeline : A python package for processing molecules with RDKit in scikit-learn

Jochen Sieg, Christian Wolfgang Feldmann, Jennifer Hemmerich, Conrad Stork, Frederik Sandfort, Philipp Eiden, Miriam Mathea

Version 1 posted 19 April 2024

1,348

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3

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Theoretical and Computational Chemistry

Scikit-Mol brings cheminformatics to Scikit-Learn

Esben Jannik Bjerrum, Rafał Adam Bachorz, Adrien Bitton, Oh-hyeon Choung, Ya Chen, Carmen Esposito, Son Viet Ha, Andreas Poehlmann

Version 1 posted 06 December 2023

1,369

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5

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