Alternatives and similar repositories for Energy_Diagram_Plotter_CDXML

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

• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆85Updated last year
• ricalmang / mechaSVG
  Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
  ☆80Updated 4 years ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆109Updated last month
• liyuanhe211 / Solution_for_Every_Gaussian_Error_Message
  Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…
  ☆87Updated 2 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆68Updated last year
• Isra3l / ligpargen
  ☆71Updated 9 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆69Updated 3 months ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆67Updated 3 months ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆37Updated 3 months ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆85Updated 2 months ago
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆19Updated last year
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• zhaoqy1996 / YARP
  ☆48Updated 3 years ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆37Updated 2 years ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆149Updated last week
• grimme-lab / xtb_docs
  ☆35Updated last week
• tobacco-mofs / tobacco_3.0
  ☆61Updated 4 years ago
• JacksonBurns / py2sambvca
  Simple thin client to interface python scripts with SambVca catalytic pocket fortran calculator.
  ☆24Updated last week
• cc-ats / mlp_tutorial
  ☆29Updated last year
• polyluxus / tools-for-g16.bash
  A collection of tools for the help with Gaussian 16.
  ☆31Updated 5 years ago
• digital-chemistry-laboratory / multiwfn-mac-build
  A build recipe for Multiwfn on MacOS
  ☆35Updated last week
• ZimmermanGroup / pyGSM
  Thermal and photochemical reaction path optimization and discovery
  ☆69Updated last year
• Iourarum / GOPY
  ☆30Updated 2 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…
  ☆47Updated 3 months ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆63Updated last month
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆56Updated last month
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆55Updated 3 years ago
• deepmodeling / reacnetgenerator
  an automatic reaction network generator for reactive molecular dynamics simulation
  ☆92Updated this week
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆39Updated last year
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆115Updated 11 months ago