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1. cp2k cp2k Public

   Forked from cp2k/cp2k

   Quantum chemistry and solid state physics software package

   Fortran

2. plumed2 plumed2 Public

   Forked from plumed/plumed2

   Development version of plumed 2

   C++

3. OctaDist OctaDist Public

   Forked from OctaDist/OctaDist

   A tool for calculating distortion parameters in coordination complexes.

   Python

4. AWS-EC2-HPC AWS-EC2-HPC Public

   Setting up AWS EC2 platform for high-performance scientific computing.

   Shell

5. deepcv deepcv Public

   Deep learning for collective variables.

   Python 1