Alternatives and similar repositories for avogenerators

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

• lijikun / orca-linux-deployment
  Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
  ☆17Updated last year
• nlesc-nano / swan
  Statistical models to predict new materials
  ☆14Updated 2 years ago
• theochem / chemtools
  A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
  ☆53Updated last year
• TheoChem-VU / PyFrag
  ☆21Updated 2 months ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆28Updated last year
• QChASM / SEQCROW
  Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…
  ☆29Updated last week
• muammar / ml4chem
  ML4Chem: Machine Learning for Chemistry and Materials
  ☆100Updated last year
• qcscine / swoose
  ☆14Updated 2 months ago
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆23Updated 5 years ago
• 3dmol / jupyterlab_3Dmol
  JupyterLab extension for py3Dmol
  ☆22Updated 3 years ago
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• lmmentel / chemtools
  Python tools for quantum chemical calculations
  ☆20Updated last year
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆100Updated 3 years ago
• radi0sus / orca_uv
  Plots absorption spectra from from ORCA output files
  ☆20Updated last year
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆16Updated 3 years ago
• selimsami / qforce
  ☆61Updated 5 months ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated this week
• patonlab / Kinisot
  Compute Kinetic Isotope Effects using the Bigeleisen-Mayer equation
  ☆23Updated last year
• tommason14 / autochem
  Automation of computational chemistry tasks using GAMESS, Orca, PSI4 and Gaussian. Gamess tasks emphasise the use of FMO calculations.
  ☆24Updated 7 months ago
• hjkgrp / MultirefPredict
  Automated workflow to predict multireference character of molecules in quantum chemistry calculation
  ☆22Updated 3 years ago
• susilehtola / fosschemistry
  Computational chemistry with free and open source software
  ☆17Updated 3 years ago
• QChASM / AaronTools.py
  Python tools for automating routine tasks encountered when running quantum chemistry computations.
  ☆53Updated last week
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆33Updated last year
• JFurness1 / EnergyLeveller
  A python script to plot an energy level diagram from an input file.
  ☆29Updated 5 years ago
• molmod / molmod
  MolMod is a collection of molecular modelling tools for python.
  ☆60Updated last year
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆23Updated 2 years ago
• atoms-ufrj / playmol
  Playmol is a(nother) software for building molecular models
  ☆19Updated 2 years ago
• OpenChemistry / molecules
  Common molecule fragments for visualization in Avogadro
  ☆17Updated last month
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆27Updated 5 years ago
• aoterodelaroza / nciplot
  Non-covalent index plots in molecular systems.
  ☆20Updated 8 years ago