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Projects in Awesome Lists by rdkit
A curated list of projects in awesome lists by rdkit .
https://github.com/rdkit/rdkit
The official sources for the RDKit library
c-plus-plus cheminformatics python rdkit
Last synced: 17 Dec 2024
https://github.com/rdkit/rdkit-tutorials
Tutorials to learn how to work with the RDKit
Last synced: 17 Dec 2024
https://github.com/rdkit/mmpdb
A package to identify matched molecular pairs and use them to predict property changes.
Last synced: 21 Dec 2024
https://github.com/rdkit/rdkit-js
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
cheminformatics drug-discovery javascript molecule molecule-viewer molecule-visualization node-js npm rdkit react wasm
Last synced: 21 Dec 2024
https://github.com/rdkit/UGM_2020
Materials from the (virtual) 2020 RDKit UGM
Last synced: 26 Sep 2024
https://github.com/rdkit/ugm_2020
Materials from the (virtual) 2020 RDKit UGM
Last synced: 07 Nov 2024
https://github.com/rdkit/UGM_2021
Materials from the (virtual) 2021 RDKit UGM
Last synced: 26 Sep 2024
https://github.com/rdkit/shape-it
Updated version of Silicos-it's shape-based alignment tool
Last synced: 07 Nov 2024
https://github.com/rdkit/ugm_2021
Materials from the (virtual) 2021 RDKit UGM
Last synced: 07 Nov 2024
https://github.com/rdkit/RDKitjs-legacy
Obsolete codebase, please do not use.
Last synced: 26 Sep 2024
https://github.com/rdkit/rdkitjs-legacy
Obsolete codebase, please do not use.
Last synced: 07 Nov 2024
https://github.com/rdkit/knime-rdkit
The RDKit nodes for the KNIME Analytics Platform
Last synced: 07 Nov 2024
https://github.com/rdkit/rdkit-orig
Older clone of the RDKit subversion repository at http://sourceforge.net/projects/rdkit/
Last synced: 07 Nov 2024
https://github.com/rdkit/rdkit-structure-renderer
JavaScript package for interactive rendering of 2D chemical structures in the browser.
Last synced: 07 Nov 2024
https://github.com/rdkit/ugm_2024
13th RDKit UGM. 11-13 September in Zurich, Switzerland
Last synced: 07 Nov 2024
https://github.com/rdkit/mongo-rdkit
GSoC 2020 project to integrate the RDKit and MongoDb
Last synced: 07 Nov 2024
https://github.com/rdkit/org.rdkit.lucene
Lucene Chemical Index based on RDKit functionality.
Last synced: 07 Nov 2024
https://github.com/rdkit/ocean
OCEAN - Optimized Cross rEActivity estimatioN
Last synced: 07 Nov 2024
https://github.com/rdkit/lmnb
LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.
Last synced: 07 Nov 2024
https://github.com/rdkit/rdkit_containers
Containers for building and working with the RDKit
Last synced: 07 Nov 2024
https://github.com/rdkit/rdkit-build-helpers
Recipes to build RDKit artifacts (e.g., Java and C# libraries, NuGet packages) and some usage examples
Last synced: 07 Nov 2024
https://github.com/rdkit/ava-formake
Fork of the upstream repo https://github.com/rohdebe1/ava-formake.git
Last synced: 07 Nov 2024