M-wp

M-wp's Stars

• MaginnGroup/PyLAT

  Language:Python10154

• snu-micc/LocalMapper

  Precise reaction atom-to-atom mapping with LocalMapper

  Language:Jupyter Notebook273

• asteeves/rdlt

  Atom typing for moltemplate using RDKit

  Language:Python41

• zwdnet/PythonPractice

  极客时间课程《Python核心技术与实战》课程练习实践。

  Language:HTML494250

• VASPsol/VASPsol

  Language:Fortran236

• leelasd/OPLSAA-DB

  Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.

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