Alternatives and similar repositories for exatomic

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

• TApplencourt / EMSL_Basis_Set_Exchange_Local
  Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.
  ☆16Updated 8 years ago
• QChASM / AaronTools.py
  Python tools for automating routine tasks encountered when running quantum chemistry computations.
  ☆53Updated 2 weeks ago
• OpenChemistry / avogenerators
  Python input file generators for Avogadro 2
  ☆15Updated last week
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆71Updated last week
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆135Updated last week
• anooplab / pyar
  Python program for aggregation and reaction
  ☆23Updated last year
• nlesc-nano / swan
  Statistical models to predict new materials
  ☆14Updated 2 years ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆151Updated this week
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆137Updated last week
• QC-Edu / IntroQM
  Introduction to Quantum Mechanics for Chemists
  ☆41Updated 6 months ago
• selimsami / qforce
  ☆62Updated 3 months ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated last week
• MolSSI / QCFractal
  A distributed compute and database platform for quantum chemistry.
  ☆155Updated last week
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated 3 weeks ago
• MolSSI / QCSchema
  A Schema for Quantum Chemistry
  ☆101Updated 2 years ago
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆64Updated this week
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆26Updated 4 years ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆86Updated this week
• theochem / chemtools
  A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
  ☆52Updated last year
• andrewtarzia / mol-ellipsize
  Molecular size calculation based on ellipsoid fitting over N conformers
  ☆16Updated 3 years ago
• patonlab / pyQRC
  Quick Reaction Coordinate using Python
  ☆39Updated last year
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆98Updated 4 years ago
• muammar / ml4chem
  ML4Chem: Machine Learning for Chemistry and Materials
  ☆100Updated 10 months ago
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆50Updated last year
• ChiCheng45 / Gaussium
  A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.
  ☆69Updated 4 years ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆126Updated 2 years ago
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆119Updated 7 years ago
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆99Updated 3 years ago
• choderalab / thermopyl
  Tools for ThermoML parsing
  ☆21Updated 4 years ago
• jeanwsr / awesome-qc-courses
  Quantum Chemistry course resources available on github and other platforms
  ☆53Updated last year