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1. cp2k cp2k Public

   Forked from cp2k/cp2k

   Quantum chemistry and solid state physics software package

   Fortran

2. deepcv deepcv Public

   Mirror repository of "Deep learning for collective variables" https://gitlab.uzh.ch/lubergroup/deepcv

   Python 3

3. plumed2 plumed2 Public

   Forked from plumed/plumed2

   Development version of plumed 2

   C++

4. OctaDist OctaDist Public

   Forked from OctaDist/OctaDist

   A tool for calculating distortion parameters in coordination complexes.

   Python

5. AWS-HPC AWS-HPC Public

   AWS resources for high-performance scientific computing

   Shell