Popular repositories Loading

1. Thesis_ESI Thesis_ESI Public

   Electronic Supplementary Information for "CatSD: Structural Database and High-Throughput Predictive Workflows for Homogeneous Catalyst Design".

   Jupyter Notebook

2. deepchem deepchem Public

   Forked from deepchem/deepchem

   Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

   Python

3. chemprop_polymer chemprop_polymer Public

   Forked from chemprop/chemprop

   Message Passing Neural Networks for Molecule Property Prediction

   Python

4. Cheminformatics-Tutorials Cheminformatics-Tutorials Public

   A collection of common cheminformatics processes and techniques

5. chemprop-contrib chemprop-contrib Public

   Forked from chemprop/chemprop-contrib

   Community-contributed extensions to the Chemprop machine learning package

   Python