Search

Categories

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(2)

Keywords

Scikit-Learn

Authors

2 results in Keywords: Scikit-Learn

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

1,065

Downloads

2

Citations

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

955

Downloads

1

Citations