Alternatives and similar repositories for avogenerators

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

• theochem / chemtools
  A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
  ☆53Updated last year
• QChASM / SEQCROW
  Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…
  ☆30Updated last week
• lijikun / orca-linux-deployment
  Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
  ☆17Updated last week
• TheoChem-VU / PyFrag
  ☆21Updated this week
• nlesc-nano / swan
  Statistical models to predict new materials
  ☆14Updated 2 years ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆28Updated last year
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆27Updated 5 years ago
• selimsami / qforce
  ☆61Updated 6 months ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• 3dmol / jupyterlab_3Dmol
  JupyterLab extension for py3Dmol
  ☆22Updated 4 years ago
• qcscine / swoose
  ☆15Updated 3 months ago
• leelasd / OPLSAA-DB
  Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…
  ☆36Updated 7 years ago
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆33Updated last year
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• muammar / ml4chem
  ML4Chem: Machine Learning for Chemistry and Materials
  ☆100Updated last year
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆25Updated 5 years ago
• ekwan / Jprogdyn
  Quasiclassical and classical dynamics with Gaussian
  ☆12Updated 4 years ago
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆16Updated 3 years ago
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆102Updated 3 years ago
• QChASM / AaronTools.py
  Python tools for automating routine tasks encountered when running quantum chemistry computations.
  ☆54Updated this week
• moleview / moleview
  MoleView: A Fast and lightweight plug-in for 3D molecular visualization
  ☆31Updated 11 months ago
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆25Updated 4 years ago
• kzfm / pygamess
  GAMESS wrapper for Python
  ☆46Updated 2 months ago
• OpenChemistry / molecules
  Common molecule fragments for visualization in Avogadro
  ☆17Updated 2 months ago
• cstein / neb
  Nudged-Elastic Band implementation in python
  ☆25Updated 9 years ago
• felixplasser / qc_pymol
  Scripts for using pymol together with quantum chemistry programs
  ☆18Updated 2 years ago
• grimme-lab / CPCM-X
  Extended conductor-like polarizable continuum solvation model
  ☆23Updated 10 months ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆44Updated last week
• dspoel / Toy-MD
  Python code for learning Molecular Dynamics simulations
  ☆53Updated 5 years ago
• TinkerTools / poltype2
  Poltype 2: Automated Parameterization for AMOEBA
  ☆51Updated last week