Alternatives and similar repositories for avogenerators

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

• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆26Updated 4 years ago
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• QChASM / SEQCROW
  Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…
  ☆28Updated last month
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆32Updated 8 months ago
• qcscine / puffin
  ☆12Updated 10 months ago
• lijikun / orca-linux-deployment
  Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
  ☆17Updated 10 months ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆26Updated last year
• qcdb / qcdb
  quantum chemistry common driver and databases
  ☆17Updated 2 years ago
• dkoes / MD2NMR
  NMR Chemical Shifts from Molecular Dynamics Simulation
  ☆13Updated 3 years ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆40Updated 11 months ago
• TheoChem-VU / PyFrag
  ☆20Updated last month
• SGenheden / Seminario
  Tool to compute bond and angle force field parameters with the Seminario method
  ☆13Updated 7 years ago
• moleview / moleview
  MoleView: A Fast and lightweight plug-in for 3D molecular visualization
  ☆30Updated 5 months ago
• susilehtola / fosschemistry
  Computational chemistry with free and open source software
  ☆16Updated 3 years ago
• nlesc-nano / swan
  Statistical models to predict new materials
  ☆14Updated 2 years ago
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆95Updated 3 years ago
• PHOTOX / ABIN
  Multipurpose ab initio MD program.
  ☆9Updated 2 months ago
• qcscine / swoose
  ☆14Updated 10 months ago
• OpenChemistry / molecules
  Common molecule fragments for visualization in Avogadro
  ☆17Updated 5 months ago
• theochem / denspart
  Atoms-in-molecules density partitioning schemes based on stockholder recipe
  ☆22Updated this week
• selimsami / qforce
  ☆60Updated last week
• QChASM / AaronTools.py
  Python tools for automating routine tasks encountered when running quantum chemistry computations.
  ☆51Updated last week
• juliacontrerasgarcia / NCIPLOT-4.2
  Program for revealing non-covalent interactions
  ☆34Updated 2 years ago
• theochem / chemtools
  A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
  ☆50Updated last year
• anooplab / pyar
  Python program for aggregation and reaction
  ☆21Updated 9 months ago
• muammar / ml4chem
  ML4Chem: Machine Learning for Chemistry and Materials
  ☆98Updated 7 months ago
• geem-lab / pnictogen
  ⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages
  ☆17Updated 5 years ago
• jmsolano / denstoolkit
  DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…
  ☆16Updated this week
• ekwan / Jprogdyn
  Quasiclassical and classical dynamics with Gaussian
  ☆12Updated 4 years ago