Pinned Loading

1. rdkit rdkit Public

   Forked from rdkit/rdkit

   The official sources for the RDKit library

   HTML

2. setupFEP setupFEP Public

   Forked from jesperswillem/setupFEP

   Python module to generate .prm files and set up FEP for Q

   Python

3. teachopencadd teachopencadd Public

   Forked from volkamerlab/teachopencadd

   TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

   Jupyter Notebook

4. DOCK6_Screening_Protocols DOCK6_Screening_Protocols Public

   Forked from rizzolab/DOCK6_Screening_Protocols

   DOCK6_Screening_Protocols: Version 6.9 developed and managed by the Rizzo Lab of Stony Brook University

   Shell

5. gnina gnina Public

   Forked from gnina/gnina

   A deep learning framework for molecular docking

   C++

6. Q6 Q6 Public

   Forked from qusers/Q6

   Q6 Repository -- EVB, FEP and LIE simulator.

   Fortran