Alternatives and similar repositories for avogadrolibs

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

• OpenChemistry / avogadroapp
  Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …
  ☆213Updated this week
• cclib / cclib
  Parsers and algorithms for computational chemistry logfiles
  ☆366Updated this week
• cryos / avogadro
  Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at htt…
  ☆342Updated 3 years ago
• nwchemgit / nwchem
  NWChem: Open Source High-Performance Computational Chemistry
  ☆549Updated 3 weeks ago
• openbabel / openbabel
  Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
  ☆1,183Updated 3 months ago
• psi4 / psi4
  Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
  ☆1,061Updated this week
• grimme-lab / xtb
  Semiempirical Extended Tight-Binding Program Package
  ☆667Updated 2 weeks ago
• chemfiles / chemfiles
  Library for reading and writing chemistry files
  ☆183Updated last month
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆370Updated this week
• mdtraj / mdtraj
  An open library for the analysis of molecular dynamics trajectories
  ☆649Updated this week
• plumed / plumed2
  Development version of plumed 2
  ☆433Updated this week
• tmpchem / computational_chemistry
  Files used in TMP Chem videos on computational chemistry
  ☆229Updated 5 years ago
• gromacs / gromacs
  Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/…
  ☆781Updated this week
• cp2k / cp2k
  Quantum chemistry and solid state physics software package
  ☆955Updated last week
• pyscf / pyscf
  Python module for quantum chemistry
  ☆1,376Updated last week
• chemlab / chemlab
  The chemistry library you were waiting for
  ☆218Updated 2 years ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆277Updated last week
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆369Updated last year
• cctbx / cctbx_project
  Computational Crystallography Toolbox
  ☆252Updated last week
• pyiron / pyiron
  pyiron - an integrated development environment (IDE) for computational materials science.
  ☆407Updated 2 weeks ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆227Updated this week
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆297Updated 3 weeks ago
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆189Updated 3 weeks ago
• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆150Updated last month
• evaleev / libint
  Libint: high-performance library for computing Gaussian integrals in quantum mechanics
  ☆247Updated last month
• MDAnalysis / mdanalysis
  MDAnalysis is a Python library to analyze molecular dynamics simulations.
  ☆1,428Updated 2 weeks ago
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆173Updated 4 months ago
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆115Updated 3 years ago
• hachmannlab / chemml
  ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
  ☆168Updated last month
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆258Updated 3 weeks ago