Alternatives and similar repositories for RepTate

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

• gustavochm / sgtpy
  ☆44Updated 6 months ago
• PhasesResearchLab / ESPEI
  Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
  ☆75Updated 3 weeks ago
• gustavochm / phasepy
  ☆100Updated 6 months ago
• KingsburyLab / pyEQL
  A Python library for solution chemistry
  ☆70Updated 2 weeks ago
• arm61 / pylj
  Teaching Utility for Classical Atomistic Simulation.
  ☆30Updated last year
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆78Updated 8 months ago
• CoolProp / PC-SAFT
  Open-source implementation of PC-SAFT equation of state
  ☆12Updated 3 years ago
• mvdh7 / pytzer
  The Pitzer model for chemical activities and equilibria in aqueous solutions in Python
  ☆17Updated 10 months ago
• zmeri / PC-SAFT
  Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms
  ☆54Updated last year
• caiofcm / pyequion
  Chemical equilibrium for electrolytes system in pure python.
  ☆26Updated 3 years ago
• JuliaRheology / RHEOS.jl
  RHEOS - Open Source Rheology data analysis software
  ☆52Updated 6 months ago
• materialsinnovation / pymks
  Materials Knowledge System in Python
  ☆118Updated 2 years 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
• openiec / openiec
  OpenIEC: An open-source code for interfacial energy calculation in alloys
  ☆39Updated last year
• idaholab / SPPARKS
  Kinetic Monte Carlo Simulator
  ☆30Updated 5 years ago
• pygbe / pygbe
  PyGBe: Python, GPUs and Boundary elements for electrostatics
  ☆67Updated 2 years ago
• ReactionMechanismGenerator / RMG-database
  The database of chemical parameters used with Reaction Mechanism Generator
  ☆117Updated this week
• IvanChernyshov / NistChemPy
  Python API for NIST Chemistry WebBook
  ☆46Updated 4 months ago
• wackywendell / tess
  Python bindings to the voro++ library.
  ☆39Updated 2 years ago
• adelq / thermochem
  Useful Python modules for Thermodynamics and Thermochemistry
  ☆38Updated 7 months ago
• JQFonseca / computing_materials_science
  Jupyter notebooks for the Computing and Comunication skills 1st Year Materials Science Course at Manchester
  ☆47Updated 2 years ago
• dpploy / chen-3170
  Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.
  ☆41Updated last year
• atzberg / mango-selm
  Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…
  ☆14Updated last week
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆99Updated 3 years 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…
  ☆27Updated 3 weeks ago
• khavernathy / mcmd
  Monte Carlo and Molecular Dynamics Simulation Package
  ☆92Updated last year
• pycalphad / scheil
  A Scheil-Gulliver simulation tool using pycalphad.
  ☆21Updated last week
• RaulPPelaez / UAMMD
  A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…
  ☆61Updated last month
• Argonne-National-Laboratory / Frhodo
  Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application
  ☆35Updated 2 years 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