Alternatives and similar repositories for topotools

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

• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆80Updated last year
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆62Updated 10 months ago
• Isra3l / ligpargen
  ☆69Updated 6 months ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆82Updated 2 weeks ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆147Updated 10 months ago
• Iourarum / GOPY
  ☆30Updated 2 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆65Updated last month
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆36Updated 2 years ago
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆172Updated 4 months ago
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆42Updated 3 years ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆95Updated 3 years ago
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• molmod / QuickFF
  A Python code to quickly derive ab initio parameterized force fields.
  ☆43Updated last year
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆58Updated last month
• degiacom / assemble
  a tool for creating Molecular Dynamics-ready models of polymeric systems
  ☆22Updated 6 years ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆88Updated 3 weeks ago
• grimme-lab / xtb_docs
  ☆35Updated 2 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• grimme-lab / dxtb
  Efficient And Fully Differentiable Extended Tight-Binding
  ☆97Updated this week
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆107Updated this week
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆33Updated 2 years ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated last month
• polyluxus / tools-for-g16.bash
  A collection of tools for the help with Gaussian 16.
  ☆30Updated 5 years ago
• ZimmermanGroup / pyGSM
  Thermal and photochemical reaction path optimization and discovery
  ☆65Updated last year
• velocirobbie / make-graphitics
  ☆44Updated 5 years ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆53Updated 11 months ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆95Updated last week
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆26Updated 4 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆53Updated this week