youliangzhu / pygamd-v1

Related projects: ⓘ

• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆65Updated 9 months ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆50Updated last month
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆30Updated last year
• jiangj-physchem / Atif
  ☆16Updated 2 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆46Updated 6 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆54Updated last month
• XinChenQC / MEPplot
  A GUI program for plotting Minimal energy path on potential energy surface.
  ☆29Updated 3 years ago
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆28Updated this week
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆47Updated 2 years ago
• bio-phys / cnt-gaff
  Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…
  ☆20Updated 4 years ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆55Updated this week
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆40Updated 2 years ago
• MaginnGroup / PyLAT
  ☆100Updated last year
• velocirobbie / make-graphitics
  ☆37Updated 4 years ago
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆52Updated 5 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆45Updated last year
• Iourarum / GOPY
  ☆23Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆45Updated 2 years ago
• tobacco-mofs / tobacco_3.0
  ☆47Updated 3 years ago
• liyuanhe211 / Energy_Diagram_Plotter_CDXML
  A tool to create pixel-accurate energy diagrams as ChemDraw object
  ☆52Updated 11 months ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆18Updated 7 years ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆24Updated last month
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
  ☆52Updated 11 months ago
• dspoel / Toy-MD
  Python code for learning Molecular Dynamics simulations
  ☆52Updated 3 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆44Updated 8 months ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆35Updated last year
• 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 mole…
  ☆64Updated last month
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆56Updated last week
• zhangylch / REANN
  ☆52Updated 4 months ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆28Updated 11 months ago