ChemistryAtlas Code
CalebBell/thermo
Cheminformatics infrastructureGitHubsource codechemical-engineeringcheminformaticschemistrycombustiondensityenvironmental-engineeringequation-of-stateheat-capacitymechanical-engineering
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Why it is useful: Cheminformatics infrastructure repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 756 stars, 133 forks, primary language: Python.
Citation: GitHub repository: CalebBell/thermo