Projects | Open Source Science

Projects

Scientific Software

Updated 11 months ago

Thermosteam — Peer-reviewed • Rank 13.4 • Science 95%

Thermosteam: BioSTEAM's Premier Thermodynamic Engine - Published in JOSS (2020)

chemical chemical-engineering equations-of-state liquid-liquid-equilibrium material-and-energy-balance mixture properties reaction thermodynamics vapor-liquid-equilibrium

Scientific Software · Peer-reviewed

Scientific Software

Updated 11 months ago

ThermoFun — Peer-reviewed • Rank 5.6 • Science 95%

ThermoFun: A C++/Python library for computing standard thermodynamic properties of substances and reactions across wide ranges of temperatures and pressures - Published in JOSS (2023)

chemical-reactions enthalpy entropy equation-of-state geochemical-data geochemical-modeling geochemistry gibbs-energy heat-capacity reaction substance thermodynamic-properties thermodynamics thermodynamics-models

Scientific Software · Peer-reviewed

Updated 11 months ago

reacnetgenerator • Rank 14.6 • Science 67%

an automatic reaction network generator for reactive molecular dynamics simulation

hmm md network python reaction reactive

Updated 11 months ago

https://github.com/compwa/expertsystem • Rank 10.1 • Science 10%

Rule based particle reaction problem solver on a quantum number level

conservation-rules particle-physics quantum reaction rule-based state-transition-graph

Updated 11 months ago

pre-notebooks • Science 44%

Notebooks for Polymer Reaction Engineering lectures.

engineering kinetics lectures polymer reaction

Updated 5 months ago

KinOpt: A Python package for chemical kinetics analysis and optimization • Science 87%

KinOpt: A Python package for chemical kinetics analysis and optimization - Published in JOSS (2026)

analysis chemical isoconversional kinetics optimization rate reaction

Updated 11 months ago

5 • Science 49%

Generalized yields of coupled enzymatic reactions.

coupled-reactions enzymatic-reactions enzymes open-science reaction science-ideas thermodynamics

Updated 11 months ago

metaboverse • Science 49%

Visualization and analysis platform for metabolic data and network pattern recognition

biology chemical enzyme metabolism metabolomics network networkx pattern-recognition proteomics reaction sequencing

Updated 11 months ago

2 • Science 49%

Thermodynamics can present itself as kinetic inhibition

enzyme-kinetics inhibition kinetics open-science reaction science-ideas thermodynamics