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 5,923 resources
This package provides a periodic table of the elements with support for mass, density and xray/neutron scattering information.
A molecule manipulation library.
atomate2 is a library of computational materials science workflows.
A collection of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and transport processes.
Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.
Universal pretrained neural network potential with charge and magnetic moment awareness, trained on 1.5M+ Materials Project inorganic structures for charge-informed molecular dynamics and phase diagram prediction (Berkeley, Nature Machine Intelligence 2023 Cover)