Alternatives and similar repositories for QCFractal

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

• MolSSI / QCEngine
  Quantum chemistry program executor and IO standardizer (QCSchema).
  ☆185Updated this week
• MolSSI / QCSchema
  A Schema for Quantum Chemistry
  ☆99Updated 2 years ago
• MolSSI / QCElemental
  Periodic table, physical constants, and molecule parsing for quantum chemistry.
  ☆164Updated 3 weeks ago
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆130Updated this week
• MolSSI / QCPortal
  A client interface to the QCArchive Project (read-only image of QCFractal)
  ☆34Updated last year
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆142Updated 3 weeks ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆180Updated 5 months ago
• leeping / forcebalance
  Systematic force field optimization.
  ☆151Updated 7 months ago
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆138Updated last month
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆122Updated 2 years ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆193Updated this week
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆97Updated 3 years ago
• duartegroup / autodE
  automated reaction profile generation
  ☆184Updated 2 weeks ago
• merzlab / QUICK
  QUICK: A GPU-enabled ab intio quantum chemistry software package
  ☆174Updated this week
• eljost / pysisyphus
  Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
  ☆115Updated 3 weeks ago
• openmopac / mopac
  Molecular Orbital PACkage
  ☆147Updated last month
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆112Updated last month
• tblite / tblite
  Light-weight tight-binding framework
  ☆147Updated last month
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆176Updated 4 months ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆147Updated 10 months ago
• hjkgrp / molSimplify
  molSimplify code
  ☆194Updated this week
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆77Updated this week
• kthpanor / echem
  eChem: Jupyter book on theoretical chemistry
  ☆107Updated last week
• isayev / ASE_ANI
  ANI-1 neural net potential with python interface (ASE)
  ☆224Updated last year
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆88Updated 2 years ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆82Updated last week
• qubekit / QUBEKit
  Quantum Mechanical Bespoke Force Field Derivation Toolkit
  ☆99Updated last year
• lab-cosmo / chemiscope
  An interactive structure/property explorer for materials and molecules
  ☆148Updated last week
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆217Updated last week
• rpmuller / pyquante2
  Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
  ☆155Updated last year