gustavochm / sgtpyLinks
☆43Updated 2 months 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☆53Updated 10 months ago
- ☆28Updated 2 years ago
- ☆94Updated 2 months ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated 5 months ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆20Updated 9 months ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆21Updated 2 weeks ago
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆46Updated last month
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- A framework for processing adsorption data and isotherm fitting☆74Updated 4 months ago
- ARC - Automatic Rate Calculator☆46Updated this week
- Automated reaction pathway search for gas-phase molecules☆57Updated 2 months ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆17Updated last year
- A Benchmark Implementation of COSMO-SAC☆64Updated 3 weeks ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆74Updated 4 months ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆63Updated last month
- Ideal Adsorbed Solution Theory☆56Updated 4 years ago
- The database of chemical parameters used with Reaction Mechanism Generator☆109Updated this week
- Resources for teaching quantum chemistry courses in Bonn☆41Updated last month
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 11 months ago
- Python API for NIST Chemistry WebBook☆39Updated 2 months ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆42Updated 6 years ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆42Updated 2 years ago
- A Python library for solution chemistry☆68Updated this week
- A repository with examples on essential knowledge of chemical engineering.☆54Updated 6 months ago
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆83Updated last week
- Playmol is a(nother) software for building molecular models☆19Updated 2 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago