gustavochm / sgtpyLinks
☆44Updated 2 weeks ago
Alternatives and similar repositories for sgtpy
Users that are interested in sgtpy are comparing it to the libraries listed below
Sorting:
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆54Updated last year
- ☆101Updated 2 weeks ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated 11 months ago
- 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
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆23Updated last year
- ARC - Automatic Rate Calculator☆47Updated this week
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- The database of chemical parameters used with Reaction Mechanism Generator☆119Updated this week
- Open-source implementation of PC-SAFT equation of state☆12Updated 3 years ago
- Ideal Adsorbed Solution Theory☆60Updated 4 years ago
- A Benchmark Implementation of COSMO-SAC☆72Updated 6 months ago
- A framework for processing adsorption data and isotherm fitting☆81Updated 9 months ago
- A Python library for solution chemistry☆71Updated last week
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated 5 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆43Updated 4 years ago
- Automated reaction pathway search for gas-phase molecules☆59Updated last month
- A Python package for adsorption processes☆27Updated 2 months ago
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆24Updated 3 years ago
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- 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
- Pairwise interaction segment activity coefficients, reference implementation in Python☆18Updated last year
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆77Updated last week
- HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction☆24Updated 3 months ago
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆20Updated 10 months ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 4 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆45Updated 4 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆39Updated this week
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆67Updated last month