Find open-source science resources
A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.
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7 of 7,094 resources
A quantum chemistry package written in Python.
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.
- Molecular Manipulation Made Easy. A light wrapper build on top of RDKit.
Interaction Fingerprints for protein-ligand complexes and more.
Descriptor library containing a variety of fingerprinting techniques, including the Smooth Overlap of Atomic Positions (SOAP).
A library for computational chemistry (DFT) for input file generation, data extraction, method screening and analysis.
Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation.