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1. choderalab/software-development choderalab/software-development Public

   A primer on software development best practices for computational chemistry

   262 79

2. openmm/openmm openmm/openmm Public

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

   C++ 1.5k 526

3. choderalab/openmmtools choderalab/openmmtools Public

   A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

   Python 253 81

4. choderalab/yank choderalab/yank Public

   An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

   Python 181 72

5. latex-cv latex-cv Public

   Example showing how LaTeX can be used to produce a nice-looking curriculum vitae (CV).

   TeX 16 3

6. choderalab/pymbar choderalab/pymbar Public

   Python implementation of the multistate Bennett acceptance ratio (MBAR)

   Python 240 93