suhui0803

suhui0803's Stars

• SENPAI-Molecular-Dynamics/SENPAI

  Molecular dynamics simulation software

  Language:C12716

• divelab/DIG

  A library for graph deep learning research

  Language:Python1.9k283

• victoresque/pytorch-template

  PyTorch deep learning projects made easy.

  Language:Python4.8k1.1k

• sha256feng/mldl-md-dynamics

  A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.

  29753

• compchem-cybertraining/Tutorials_CP2K

  Tutorials on CP2K calculations

  Language:Python4727

• aiqm/torchani

  Accurate Neural Network Potential on PyTorch

  Language:Python472130

• cp2k/cp2k

  Quantum chemistry and solid state physics software package

  Language:Fortran865387

• Quantum-Dynamics-Hub/pyxaid2

  Language:Python1118

• sharc-md/sharc

  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

  Language:Python7038

• MMunibas/PhysNet

  Code for training PhysNet models

  Language:Python9326

• jparkhill/TensorMol

  Tensorflow + Molecules = TensorMol

  Language:Python27275

• CompPhysVienna/n2p2

  n2p2 - A Neural Network Potential Package

  Language:C++22684