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.

10 of 6,750 resources

Provides functionality for producing geometric representations of protein and RNA structures, and biological interaction networks.

Active1.2K3 weeks ago
Jupyter Notebook
MIT

Deep learning library for Chemistry based on Tensorflow

Active6.9K1 month ago
Python
MIT

Library for fast calculations of **mo**lecula**r** **fe**at**u**re**s** from 3D structures for machine learning with a focus on steric descriptors.

Active2351 month ago
Python
MIT

Ensemble of automated machine learning protocols that can be run sequentially through a single command line. The program works for regression and classification problems.

Active551 month ago
Python
MIT

A python package for optimizing chemical reactions using machine learning (contains 10 algorithms + several benchmarks).

Stale1502 years ago
Jupyter Notebook
MIT

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

Stale7542 years ago
Python
MIT

A Library for Deep Learning in Biology and Chemistry.

Stale7053 years ago
Python
MIT

A deep learning framework (based on Chainer) with applications in Biology and Chemistry.

Stale7043 years ago
Python
MIT

Enables machine learning on three-dimensional molecular structure.

Stale3193 years ago
Python
MIT

a robust molecular representation learning framework against distribution shifts.

Stale613 years ago
Python
MIT