GitHub / ipqa-research / ugropy
A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, Joback, and Abdulelah-Gani models are implemented.
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PURL: pkg:github/ipqa-research/ugropy
Stars: 21
Forks: 2
Open issues: 4
License: mit
Language: Python
Size: 34.9 MB
Dependencies parsed at: Pending
Created at: about 2 years ago
Updated at: about 2 months ago
Pushed at: about 1 month ago
Last synced at: about 1 month ago
Commit Stats
Commits: 183
Authors: 4
Mean commits per author: 45.75
Development Distribution Score: 0.366
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/ipqa-research/ugropy
Topics: chemical, chemical-engineering, compound, contribution, engineering, excess, fragmentation, functional, gibbs, group, groups, grupal, joback, molecule, properties, pure, python, thermodynamics, unifac