deepmd

There are 0 repository under deepmd topic.

• deepmd-kit

  deepmodeling / deepmd-kit

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

  deep-learningmolecular-dynamicsdeepmdlammpspotential-energypythontensorflowcppcudarocmipiasecomputational-chemistrymaterials-sciencecnodejspytorch
  Language:C++ 1387

• chenggroup / ai2-kit

  A toolkit featured artificial intelligence × ab initio for computational chemistry research.

  chemistrycp2kdeepmdhpclammpsslurmworkflowmdanalysisvasplasp
  Language:Python 46