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1. Linux_101 Linux_101 Public

   Most common used linux command on computational chemistry (periodically update)

2. lammps lammps Public

   Forked from lammps/lammps

   Public development project of the LAMMPS MD software package

   C++

3. deepmd-kit deepmd-kit Public

   Forked from deepmodeling/deepmd-kit

   A deep learning package for many-body potential energy representation and molecular dynamics

   Python

4. dpgen dpgen Public

   Forked from deepmodeling/dpgen

   The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

   Python

5. i-pi i-pi Public

   Forked from i-pi/i-pi

   i-PI: a universal force engine

   Python

6. cp2k cp2k Public

   Forked from cp2k/cp2k

   Quantum chemistry and solid state physics software package

   Fortran