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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11 of 6,573 resources
Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.
An object-oriented, webGL based JavaScript library for online molecular visualization.
A Python package for protein dynamics analysis
A swiss army knife for manipulating and editing PDB files.
Another list focuses on Python stuff related to Chemistry.
Cheminformatic extension for the SQLAlchemy database.
Descriptor computation(chemistry) and (optional) storage for machine learning.
[RDKit](http://www.rdkit.org/) and [OSRA](https://cactus.nci.nih.gov/osra/) in the [Bottle](http://bottlepy.org/docs/dev/) on [Tornado](http://www.tornadoweb.org/en/stable/).
Open source web framework for small molecule analysis based on Django.