Skip to content
@coleygroup

coleygroup

Popular repositories

  1. molpal molpal Public

    active learning for accelerated high-throughput virtual screening

    Jupyter Notebook 156 34

  2. pyscreener pyscreener Public

    pythonic interface to virtual screening software

    Python 78 31

  3. Graph2SMILES Graph2SMILES Public

    Python 46 5

  4. polymer-chemprop polymer-chemprop Public

    Forked from chemprop/chemprop

    Message Passing Neural Networks for Molecule Property Prediction

    Python 32 5

  5. rxn-ebm rxn-ebm Public

    Energy-based modeling of chemical reactions

    Python 28 7

  6. del_qsar del_qsar Public

    Jupyter Notebook 28 8

Repositories

Showing 10 of 24 repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…