Find open-source science resources

Cross-domain directory aggregating tools, AI models, datasets, and research resources from bio.tools, Bioconductor, HuggingFace, curated GitHub awesome-lists, and more.

5 of 5,684 resources

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals.

Archived5563 years ago
Jupyter Notebook
BSD-3-Clause

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

2.4K1 month ago
Python
NOASSERTION

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

1.2K3 days ago
Jupyter Notebook
MIT

Deep learning library for Chemistry based on Tensorflow

6.8K2 months ago
Python
MIT

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

7452 years ago
Python
MIT