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
  ☆51Updated 6 months ago
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆15Updated 5 months ago
• ipqa-research / ugropy
  A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…
  ☆21Updated this week
• gustavochm / phasepy
  ☆90Updated 4 months ago
• CoolProp / PC-SAFT
  Open-source implementation of PC-SAFT equation of state
  ☆12Updated 2 years ago
• mvdh7 / pytzer
  The Pitzer model for chemical activities and equilibria in aqueous solutions in Python
  ☆17Updated last month
• PEESEgroup / Pure-Component-Property-Estimation
  ☆27Updated 2 years ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆39Updated 3 years ago
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆44Updated this week
• usnistgov / teqp
  A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation
  ☆57Updated last week
• CorySimon / pyIAST
  Ideal Adsorbed Solution Theory
  ☆52Updated 3 years ago
• caiofcm / pyequion
  Chemical equilibrium for electrolytes system in pure python.
  ☆26Updated 2 years ago
• Santiso-Group / despasito
  DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
  ☆16Updated last month
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆36Updated 3 years ago
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆67Updated last week
• zadorlab / KinBot
  Automated reaction pathway search for gas-phase molecules
  ☆53Updated this week
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆43Updated 3 months ago
• amvro23 / adsorption
  A Python package for adsorption processes
  ☆18Updated 2 weeks ago
• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆25Updated 5 years ago
• lvpp / pysac
  Pairwise interaction segment activity coefficients, reference implementation in Python
  ☆15Updated 10 months ago
• ReactionMechanismGenerator / ReactionMechanismSimulator.jl
  The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
  ☆78Updated last month
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆41Updated 6 years ago
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆36Updated 5 months ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆23Updated last year
• Argonne-National-Laboratory / Frhodo
  Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application
  ☆32Updated last year
• omidshy / aMD
  A collection of Python codes to calculate physical properties from molecular dynamics simulations.
  ☆14Updated 6 months ago
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆30Updated 7 months ago
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆52Updated 3 years ago
• lvpp / sigma
  LVPP sigma-profile database + COSMO-SAC parametrizations
  ☆60Updated 2 weeks ago