KingsburyLab / pyEQL
A Python library for solution chemistry
☆66Updated this week
Alternatives and similar repositories for pyEQL:
Users that are interested in pyEQL are comparing it to the libraries listed below
- ☆90Updated 4 months ago
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- ☆41Updated 4 months ago
- ☆27Updated 2 years ago
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 2 years ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated last month
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆51Updated 6 months ago
- The database of chemical parameters used with Reaction Mechanism Generator☆102Updated this week
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated last year
- Chemical Equilibrium Diagrams for aqueous systems☆22Updated last year
- Implementation of the UNIFAC model☆9Updated 4 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆21Updated this week
- LVPP sigma-profile database + COSMO-SAC parametrizations☆60Updated 2 weeks ago
- ARC - Automatic Rate Calculator☆44Updated this week
- Python API for NIST Chemistry WebBook☆36Updated 5 months ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆43Updated 3 months ago
- Useful Python modules for Thermodynamics and Thermochemistry☆33Updated 11 months ago
- python simulation interface for molecular modeling☆87Updated 2 years ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆57Updated last week
- A Benchmark Implementation of COSMO-SAC☆57Updated 2 weeks ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆41Updated 6 years ago
- This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Pyth…☆57Updated last month
- Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.☆41Updated 6 months ago
- First-Principles Semi-Empirical (FPSE) Group Additivity (GA) method for estimating thermodynamic properties of molecules☆9Updated last year
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 7 months ago
- ☆65Updated this week
- Automated reaction pathway search for gas-phase molecules☆53Updated this week
- Gibbs-Helmholtz Graph Neural Network☆17Updated last year
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆42Updated 4 months ago
- A framework for processing adsorption data and isotherm fitting☆67Updated last week