12jscvb

Pinned Repositories

• colvars

  Collective variables library for molecular simulation and analysis programs

  Language:C++1951834856

• cp2k

  Quantum chemistry and solid state physics software package

  Language:Fortran79941678370

• deepmd-kit

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

  Language:C++1.4k47717487

• dpdata

  Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

  Language:Python189993128

• dpgen

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

  Language:Python28513285174

• CVHD_tutorial

  Collective Variable HyperDynamics install manual

  Language:xBase2330

12jscvb's Repositories