Skip to content
@molecularmodelinglab

Molecular Modeling Lab

The Molecular Modeling Lab @ UNC

Welcome to the GitHub page for the molecular modeling lab at the University of Chapel Hill North Carolina. The lab is currently under the supervision of Professor Alexander Tropsha and in the Chemical Biology and Medicinal Chemistry (CBMC) Division in the Eshelman School of Pharmacy. However, our PI doesn't write code so here you will find the work product of his many students. The lab generally makes repositories to share our research/support publication, however we also have some packages that we develop and maintain.

If you are interested in hearing more about the lab, our research areas or even maybe joining, you can find more info about us here.

This is supposed to be a photo of us drinking beer

Popular repositories Loading

  1. plantain plantain Public

    Fast and accurate molecular docking with an AI pose scoring function

    Python 42 3

  2. bigbind bigbind Public

    The BigBind protein-ligand binding dataset (and BayesBind benchmark)

    Python 21 2

  3. lfm lfm Public

    Ligand force matching

    Python 11 1

  4. PhaKinPro PhaKinPro Public

    Pharmacokinetic property prediction with QSAR modeling

    CSS 8 3

  5. banana banana Public

    BANANA (BAsic NeurAl Network for binding Affinity)

    Python 5 2

  6. HIDDEN-GEM HIDDEN-GEM Public

    Python 5 2

Repositories

Showing 10 of 29 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…