Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with joback
A curated list of projects in awesome lists tagged with joback .
https://github.com/clapeyronthermo/gcidentifier.jl
tools to perform group contribution (GC) identification, given the SMILES of a compound
group-contribution joback smiles-strings unifac
Last synced: 07 Nov 2024
https://github.com/ipqa-research/ugropy
A Python library designed to swiftly and effortlessly obtain the UNIFAC groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries.
chemical chemical-engineering compound contribution engineering excess fragmentation functional gibbs group groups grupal joback molecule properties pure python thermodynamics unifac
Last synced: 09 Oct 2024
