Alternatives and similar repositories for math-methods-chemical-engineering

Users that are interested in math-methods-chemical-engineering are comparing it to the libraries listed below

• VlachosGroup / Intro-to-KMC
  Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
  ☆26Updated 6 years ago
• PEESEgroup / PSA
  PSA simulation code
  ☆17Updated 2 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 2 months ago
• jkitchin / f19-06623
  Course repository for 06-623
  ☆13Updated 5 years ago
• pauliacomi / pyGAPS
  A framework for processing adsorption data and isotherm fitting
  ☆74Updated 7 months ago
• gusmaogabriels / mkin4py
  A general linear model for microkinetic catalytic systems.
  ☆10Updated 2 years ago
• gustavochm / sgtpy
  ☆44Updated 5 months ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 3 years ago
• zadorlab / KinBot
  Automated reaction pathway search for gas-phase molecules
  ☆57Updated last week
• CMMRLab / LUNAR
  ☆46Updated last week
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆55Updated 3 years ago
• iRASPA / RUPTURA
  ☆39Updated 8 months ago
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆64Updated last week
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated this week
• lvpp / sigma
  LVPP sigma-profile database + COSMO-SAC parametrizations
  ☆66Updated this week
• kevingreenman / awesome-chemical-engineering-education
  A curated list of online chemical engineering education resources
  ☆161Updated 6 months ago
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆96Updated 4 months ago
• Allen-Tildesley / data
  Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…
  ☆15Updated 8 years ago
• edgarsmdn / MLCE_book
  Hands-on material for a Machine Learning in Chemical Engineering course
  ☆110Updated 2 years ago
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆45Updated 5 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆30Updated 6 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆27Updated 3 years ago
• CorySimon / pyIAST
  Ideal Adsorbed Solution Theory
  ☆58Updated 4 years ago
• simongravelle / GOMC-inputs
  Input script for Monte Carlo (GCMC) simulations
  ☆19Updated last year
• TRI-AMDD / CAMD
  Agent-based sequential learning software for materials discovery
  ☆63Updated last year
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆22Updated 5 years ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆48Updated 6 years ago
• ulissigroup / GASpy
  ☆71Updated 4 years ago
• materialsvirtuallab / nano266
  Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
  ☆22Updated 10 months ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago