deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Python 6.6k 2.2k
Example code from the book "Deep Learning for the Life Sciences"
Jupyter Notebook 400 158
Moleculenet.ai Datasets And Splits
Jupyter Notebook 105 22
JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling
Python 81 10
A simple web GUI for DeepChem
JavaScript 64 19
An experimental repo for experimenting with PyTorch models
Python 38 14