Alternatives and similar repositories for sgtpy

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

• zmeri / PC-SAFT
  Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms
  ☆54Updated last year
• gustavochm / phasepy
  ☆101Updated last month
• mvdh7 / pytzer
  The Pitzer model for chemical activities and equilibria in aqueous solutions in Python
  ☆17Updated last year
• ipqa-research / ugropy
  A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…
  ☆28Updated 2 months ago
• ReactionMechanismGenerator / RMG-database
  The database of chemical parameters used with Reaction Mechanism Generator
  ☆120Updated 3 weeks ago
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆23Updated last year
• CoolProp / PC-SAFT
  Open-source implementation of PC-SAFT equation of state
  ☆12Updated 3 years ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆48Updated last week
• caiofcm / pyequion
  Chemical equilibrium for electrolytes system in pure python.
  ☆27Updated 3 years ago
• CorySimon / pyIAST
  Ideal Adsorbed Solution Theory
  ☆61Updated 4 years ago
• usnistgov / COSMOSAC
  A Benchmark Implementation of COSMO-SAC
  ☆73Updated 7 months ago
• zadorlab / KinBot
  Automated reaction pathway search for gas-phase molecules
  ☆59Updated 2 months ago
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆83Updated 10 months ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 6 months ago
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆47Updated 6 months ago
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆31Updated last year
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆39Updated 4 years ago
• KingsburyLab / pyEQL
  A Python library for solution chemistry
  ☆73Updated this week
• PhasesResearchLab / ESPEI
  Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
  ☆77Updated last month
• amvro23 / adsorption
  A Python package for adsorption processes
  ☆31Updated 3 months ago
• Santiso-Group / despasito
  DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
  ☆20Updated 11 months ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆27Updated 6 years ago
• amvro23 / essentials-ChEng
  A repository with examples on essential knowledge of chemical engineering.
  ☆57Updated last week
• atoms-ufrj / playmol
  Playmol is a(nother) software for building molecular models
  ☆19Updated 2 years ago
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆42Updated 5 months ago
• tspecht93 / HANNA
  HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction
  ☆24Updated 4 months ago
• lammps / pizza
  Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…
  ☆70Updated 4 years ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆43Updated 4 years ago
• slitvinov / lammps-configs
  LAMMPS configuration files
  ☆13Updated 9 years ago
• ReactionMechanismGenerator / ReactionMechanismSimulator.jl
  The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
  ☆87Updated last month