Alternatives and similar repositories for cp2kdata

Users that are interested in cp2kdata are comparing it to the libraries listed below

• cp2k / cp2k-output-tools
  Python tools to handle CP2K output files
  ☆39Updated this week
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆53Updated this week
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆95Updated 3 years ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆80Updated last year
• chenggroup / ai2-kit
  A toolkit featured artificial intelligence × ab initio for computational chemistry research.
  ☆69Updated 2 months ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 8 months 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…
  ☆55Updated 5 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆62Updated 10 months ago
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• VASPsol / VASPsol
  ☆52Updated 2 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆52Updated 7 years ago
• PabloPiaggi / Crystallization-of-Silicon
  Tutorial: Crystallization of silicon using enhanced sampling simulations
  ☆18Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆67Updated last week
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆140Updated last year
• deepmodeling / reacnetgenerator
  an automatic reaction network generator for reactive molecular dynamics simulation
  ☆89Updated this week
• fenggo / I-ReaxFF
  I-ReaxFF: stand for Intelligent-Reactive Force Field
  ☆33Updated this week
• zhangylch / REANN
  ☆59Updated 7 months ago
• tobacco-mofs / tobacco_3.0
  ☆56Updated 4 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆53Updated 3 years ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆42Updated last month
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆50Updated last year
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆172Updated 4 months ago
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆40Updated this week
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆153Updated 2 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 10 months ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆65Updated last month