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Showing 10 of 41 repositories

rdkit Public
The official sources for the RDKit library
rdkit/rdkit’s past year of commit activity
HTML 3,147BSD-3-Clause 953 111 34 UpdatedNov 12, 2025
knime-rdkit Public
The RDKit nodes for the KNIME Analytics Platform
rdkit/knime-rdkit’s past year of commit activity
Java 25 17 24 1 UpdatedNov 6, 2025
UGM_2025 Public
2025 RDKit UGM
rdkit/UGM_2025’s past year of commit activity
Jupyter Notebook 29 2 0 0 UpdatedOct 27, 2025
knime-lwreg Public
KNIME nodes for working with lwreg
rdkit/knime-lwreg’s past year of commit activity
Python 4MIT 6 0 0 UpdatedOct 24, 2025
rdkit-js Public
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
rdkit/rdkit-js’s past year of commit activity
Dockerfile 211BSD-3-Clause 39 26 14 UpdatedOct 1, 2025
shape-it Public
Updated version of Silicos-it's shape-based alignment tool
rdkit/shape-it’s past year of commit activity
C++ 43MIT 13 4 0 UpdatedSep 27, 2025
laplaciannb Public
LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.
rdkit/laplaciannb’s past year of commit activity
Python 13BSD-3-Clause 1 0 0 UpdatedAug 28, 2025
mmpdb Public
A package to identify matched molecular pairs and use them to predict property changes.
rdkit/mmpdb’s past year of commit activity
Python 257 68 18 1 UpdatedMay 21, 2025
molecular_templates Public
rdkit/molecular_templates’s past year of commit activity
C++0BSD-2-Clause 5 0 0 UpdatedMay 9, 2025
UGM_NA2025 Public
rdkit/UGM_NA2025’s past year of commit activity
0 2 0 0 UpdatedMay 5, 2025

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