Alternatives and similar repositories for exatomic

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

• OpenChemistry / avogenerators
  Python input file generators for Avogadro 2
  ☆16Updated 2 months ago
• 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
• mychem / mychem-code
  Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.
  ☆22Updated 7 months ago
• pythoninchemistry / intro_python_chemists
  An open-source, online textbook introducing Python programming to chemistry students
  ☆27Updated 5 years ago
• 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
• cyllab / CalcUS
  Quantum Chemistry Web Platform
  ☆71Updated 2 months ago
• theochem / chemtools
  A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
  ☆53Updated last year
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆138Updated 2 weeks ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆87Updated 2 weeks ago
• nlesc-nano / swan
  Statistical models to predict new materials
  ☆14Updated 2 years ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆86Updated this week
• selimsami / qforce
  ☆61Updated 6 months ago
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆147Updated 3 weeks ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆23Updated 2 years ago
• QC-Edu / IntroQM
  Introduction to Quantum Mechanics for Chemists
  ☆57Updated this week
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆28Updated last year
• chemreps / chemreps
  Implementation of various machine learning representations for molecules
  ☆25Updated 4 years ago
• zotko / xyz2graph
  Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
  ☆86Updated 4 months ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆159Updated last week
• chrisjsewell / PyGauss
  An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation
  ☆26Updated 3 years ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆86Updated 3 months ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated 3 months ago
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆52Updated last year
• lijikun / orca-linux-deployment
  Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
  ☆17Updated last year
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆33Updated last year
• leeping / forcebalance
  Systematic force field optimization.
  ☆156Updated last year
• molmod / molmod
  MolMod is a collection of molecular modelling tools for python.
  ☆60Updated last year
• nlesc-nano / CAT
  A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
  ☆20Updated 7 months ago
• andrewtarzia / mol-ellipsize
  Molecular size calculation based on ellipsoid fitting over N conformers
  ☆16Updated 3 years ago