wen-xl

wen-xl's Stars

• CSIprinceton/workshop-july-2022

  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022

  Language:Jupyter Notebook5017

• hungpham2017/mcu

  Modeling and Crystallographic Utilities

  Language:Python4720

• leelasd/ligpargen

  A repository for tutorials and FAQ's about LigParGen

  Language:Python2117

• nanxstats/ggsci

  🦄 Scientific journal and sci-fi themed color palettes for ggplot2

  Language:R67571

• isayev/ASE_ANI

  ANI-1 neural net potential with python interface (ASE)

  Language:Python21955

• gaox-qd/pysoc

  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+

  Language:Fortran407

• Goodpaster/QSoME

  Quantum Solid and Molecular Embedding

  Language:Python83

• patrickfuller/blender-chemicals

  Draws chemicals in Blender using common input formats (smiles, molfiles, cif files, etc.)

  Language:Python19334