Alternatives and similar repositories for chempy

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

• lmmentel / awesome-python-chemistry
  A curated list of Python packages related to chemistry
  ☆1,236Updated 8 months ago
• ReactionMechanismGenerator / RMG-Py
  Python version of the amazing Reaction Mechanism Generator (RMG).
  ☆456Updated 2 weeks ago
• chemlab / chemlab
  The chemistry library you were waiting for
  ☆218Updated 2 years ago
• cclib / cclib
  Parsers and algorithms for computational chemistry logfiles
  ☆366Updated this week
• lukasturcani / stk
  A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …
  ☆263Updated 7 months ago
• lmmentel / mendeleev
  A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.
  ☆255Updated 2 weeks ago
• weisscharlesj / SciCompforChemists
  Scientific Computing for Chemists is a free text for teaching basic computing skills to chemists using Python, Jupyter notebooks, and the…
  ☆265Updated last month
• nwchemgit / nwchem
  NWChem: Open Source High-Performance Computational Chemistry
  ☆549Updated last month
• wigging / chemics
  A Python package for chemical engineering
  ☆183Updated last year
• mcs07 / PubChemPy
  Python wrapper for the PubChem PUG REST API.
  ☆437Updated 2 months ago
• glotzerlab / freud
  Powerful, efficient particle trajectory analysis in scientific Python.
  ☆296Updated 3 weeks ago
• tmpchem / computational_chemistry
  Files used in TMP Chem videos on computational chemistry
  ☆229Updated 5 years ago
• psi4 / psi4
  Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
  ☆1,061Updated this week
• hsiaoyi0504 / awesome-cheminformatics
  A curated list of Cheminformatics libraries and software.
  ☆752Updated last year
• harirakul / chemlib
  🧪 A comprehensive chemistry library for Python.
  ☆63Updated 2 years ago
• grimme-lab / xtb
  Semiempirical Extended Tight-Binding Program Package
  ☆669Updated 2 weeks ago
• Allen-Tildesley / examples
  Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…
  ☆318Updated last month
• OpenChemistry / avogadrolibs
  Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modelin…
  ☆537Updated this week
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆370Updated last week
• ReactionMechanismGenerator / RMG-database
  The database of chemical parameters used with Reaction Mechanism Generator
  ☆108Updated this week
• molshape / ChemFormula
  ChemFormula is a Python class for working with chemical formulas. It allows parsing chemical formulas, calculating formula weights for st…
  ☆27Updated 2 weeks ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆192Updated this week
• CalebBell / thermo
  Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
  ☆685Updated 3 months ago
• pycalphad / pycalphad
  CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
  ☆335Updated last week
• cctbx / cctbx_project
  Computational Crystallography Toolbox
  ☆252Updated this week
• pyscf / pyscf
  Python module for quantum chemistry
  ☆1,381Updated this week
• pyiron / pyiron
  pyiron - an integrated development environment (IDE) for computational materials science.
  ☆408Updated this week
• mcs07 / ChemDataExtractor
  Automatically extract chemical information from scientific documents
  ☆328Updated last year
• jparkhill / TensorMol
  Tensorflow + Molecules = TensorMol
  ☆274Updated 4 years ago
• CalebBell / chemicals
  chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)
  ☆234Updated 3 months ago