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Cross-domain directory aggregating tools, AI models, datasets, and research resources from bio.tools, Bioconductor, HuggingFace, curated GitHub awesome-lists, and more.
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5 of 5,674 resources
Toolkit for processing molecules, reactions and condensed graphs of reactions. Can be used for chemical standardization, MCS search, tautomers generation with backward compatibility to RDKit and NetworkX.
- Molecular Manipulation Made Easy. A light wrapper build on top of RDKit.
A graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia
A Python package useful for chemistry (mainly physical/inorganic/analytical chemistry)
Universal molecular toolkit that can be used for molecular fingerprinting, substructure search, and molecular visualization written in C++ package, with Java, C#, and Python wrappers.