Alternatives and similar repositories for mechaSVG

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

• liyuanhe211 / Energy_Diagram_Plotter_CDXML
  A tool to create pixel-accurate energy diagrams as ChemDraw object
  ☆72Updated 9 months ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆152Updated last week
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated last year
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆118Updated 2 weeks ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆70Updated last year
• grimme-lab / g-xtb
  Development versions of the g-xTB method. Final implementation will not happen here but in tblite (https://github.com/tblite/tblite).
  ☆115Updated 3 months ago
• Isra3l / ligpargen
  ☆75Updated 11 months ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆63Updated last month
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆93Updated 3 weeks ago
• grimme-lab / xtb_docs
  ☆36Updated 2 weeks ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆40Updated 5 months ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆70Updated 6 months ago
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆43Updated 3 years ago
• faccts / opi
  ORCA Python Interface
  ☆99Updated this week
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆120Updated 2 months ago
• 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 4 months ago
• polyluxus / tools-for-g16.bash
  A collection of tools for the help with Gaussian 16.
  ☆34Updated 5 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• RagnarB83 / ash
  ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…
  ☆94Updated last week
• JacksonBurns / py2sambvca
  Simple thin client to interface python scripts with SambVca catalytic pocket fortran calculator.
  ☆25Updated 2 months ago
• duartegroup / autodE
  automated reaction profile generation
  ☆194Updated last month
• tblite / tblite
  Light-weight tight-binding framework
  ☆170Updated 3 months ago
• eljost / pysisyphus
  Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
  ☆124Updated last month
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆73Updated 6 months ago
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆110Updated last month
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Neural Network Models for chemistry
  ☆173Updated last month
• virtualzx-nad / geodesic-interpolate
  Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
  ☆64Updated 9 months ago
• polyluxus / tools-for-g09.bash
  Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
  ☆15Updated 6 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆27Updated 2 years ago
• vladislavivanistsev / RTIL-FF
  Gromacs Topology Files for common Ionic Liquids
  ☆22Updated last year