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GitHub / 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.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/ipqa-research%2Fugropy
Stars: 6
Forks: 1
Open Issues: 2
License: mit
Language: Python
Repo Size: 3.67 MB
Dependencies:
42
Created: 11 months ago
Updated: about 2 months ago
Last pushed: 3 months ago
Last synced: 2 months ago
Commit Stats
Commits: 100
Authors: 3
Mean commits per author: 33.33
Development Distribution Score: 0.44
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
Files
Dependencies
- actions/checkout master composite
- actions/setup-python v2 composite
- check-manifest * development
- chemspipy ==2.0.0 development
- commitizen * development
- flake8-black * development
- flake8-builtins * development
- flake8-import-order * development
- flake8-nb * development
- ipdb * development
- ipython * development
- jupyter * development
- matplotlib * development
- nbsphinx * development
- numpy >=1.25.1 development
- pandas >=2.0.3 development
- pep8-naming * development
- pubchempy ==1.0.4 development
- pydocstyle * development
- pytest * development
- pytest-cov * development
- rdkit ==2023.3.2 development
- sphinx * development
- sphinx_copybutton * development
- sphinx_rtd_theme * development
- tox * development