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.

5 of 5,923 resources

Directed message passing neural networks for property prediction of molecules and reactions with uncertainty and interpretation.

Active2.4K1 month ago
Python
NOASSERTION

ChemML is a machine learning and informatics program suite for the analysis, mining, and modeling of chemical and materials data. (based on Tensorflow)

Active1761 month ago
Python
BSD-3-Clause

Deep learning library for Chemistry based on Tensorflow

Active6.8K3 months ago
Python
MIT

OpenChem is a deep learning toolkit for Computational Chemistry with PyTorch backend.

Stale7452 years ago
Python
MIT

DGL-LifeSci is a [DGL](https://www.dgl.ai/)-based package for various applications in life science with graph neural network.

Stale8032 years ago
Python
Apache-2.0