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1. RosettaCommons/rosetta RosettaCommons/rosetta Public

   The Rosetta Bio-macromolecule modeling package.

   C++ 255 81

2. RoseTTAFold-All-Atom RoseTTAFold-All-Atom Public

   Forked from baker-laboratory/RoseTTAFold-All-Atom

   Python

3. OpenVS OpenVS Public

   Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"

   Jupyter Notebook 54 8

4. openbabel openbabel Public

   Forked from openbabel/openbabel

   Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

   C++

5. openmm openmm Public

   Forked from openmm/openmm

   OpenMM is a toolkit for molecular simulation using high performance GPU code.

   C++