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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12 of 6,584 resources
Deep learning library for Chemistry based on Tensorflow
A graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia
A script to run structural alerts using the RDKit and ChEMBL
Python-centric Cookiecutter for Molecular Computational Chemistry Packages by [MolSSL](https://molssi.org/)
Tool designed to provide a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.
A python package for optimizing chemical reactions using machine learning (contains 10 algorithms + several benchmarks).
OpenChem is a deep learning toolkit for Computational Chemistry with PyTorch backend.
Wrapper for RDKit's RunReactants to improve stereochemistry handling
A Library for Deep Learning in Biology and Chemistry.
A curated list of molecular docking software, datasets, and other closely related resources.
Molecule validation and standardization based on [RDKit](http://www.rdkit.org/).