Alternatives and similar repositories for topotools

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

• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆89Updated 2 years ago
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• Isra3l / ligpargen
  ☆78Updated last year
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆73Updated last year
• paduagroup / clandp
  Force field for ionic liquids
  ☆71Updated last month
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆101Updated 3 months ago
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆186Updated 3 weeks ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆37Updated 2 years ago
• ricalmang / mechaSVG
  Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
  ☆81Updated 4 years ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆41Updated 3 years ago
• molmod / QuickFF
  A Python code to quickly derive ab initio parameterized force fields.
  ☆44Updated 2 years ago
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆43Updated 3 years ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆94Updated last week
• zorkzou / Molden2AIM
  Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.
  ☆59Updated 6 months ago
• degiacom / assemble
  a tool for creating Molecular Dynamics-ready models of polymeric systems
  ☆23Updated 6 years ago
• liyuanhe211 / Energy_Diagram_Plotter_CDXML
  A tool to create pixel-accurate energy diagrams as ChemDraw object
  ☆74Updated last year
• Iourarum / GOPY
  ☆30Updated 3 years ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆153Updated 2 months ago
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆221Updated 2 weeks ago
• tblite / tblite
  Light-weight tight-binding framework
  ☆183Updated last month
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆131Updated last month
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆54Updated 2 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆76Updated last month
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated 2 years ago
• MaginnGroup / PyLAT
  ☆112Updated 3 years ago
• grimme-lab / xtb_docs
  ☆36Updated 2 months ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆65Updated this week
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆161Updated 2 years ago
• polyluxus / tools-for-g16.bash
  A collection of tools for the help with Gaussian 16.
  ☆34Updated 6 years ago