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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6 of 6,361 resources
A library containing basis sets for use in quantum chemistry calculations. In addition, this library has functionality for manipulation of basis set data.
A tool and library for creating quantum chemistry input files.
Makes alchemical free energy calculations easier by leveraging the full power and flexibility of the PyData stack.
A module for solving and visualizing the Schrödinger equation.
Psi4-based reference implementations and Jupyter notebook-based tutorials for foundational quantum chemistry methods.
Open Drug Discovery Toolkit, a modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc.