Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
GitHub topics: unifac
ClapeyronThermo/Clapeyron.jl
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
Language: Julia - Size: 33 MB - Last synced: 9 days ago - Pushed: 9 days ago - Stars: 183 - Forks: 45
ClapeyronThermo/GCIdentifier.jl
tools to perform group contribution (GC) identification, given the SMILES of a compound
Language: Julia - Size: 713 KB - Last synced: 24 days ago - Pushed: 25 days ago - Stars: 10 - Forks: 1
longemen3000/UNIFAC-excess
UNIFAC described in terms of excess gibbs free energy
Size: 1.95 KB - Last synced: about 1 month ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0
andizuend/AIOMFAC
Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)
Language: Fortran - Size: 2.88 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 11 - Forks: 7
lvpp/sigma
LVPP sigma-profile database + COSMO-SAC parametrizations
Language: Python - Size: 5.49 MB - Last synced: about 2 months ago - Pushed: about 2 months ago - Stars: 53 - Forks: 26
Spogis/Get_UNIFAC_Groups
Easy determine UNIFAC Groups
Language: Python - Size: 2.54 MB - Last synced: about 1 month ago - Pushed: about 2 months ago - Stars: 3 - Forks: 1
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.
Language: Python - Size: 3.67 MB - Last synced: about 2 months ago - Pushed: 3 months ago - Stars: 6 - Forks: 1
aakanksha-gubbala/unifac
Implementation of UNIFAC group contribution method in MATLAB
Language: MATLAB - Size: 10.7 KB - Last synced: 6 months ago - Pushed: over 2 years ago - Stars: 4 - Forks: 1
Peter-Edwards/UNIFACtor.jl
UNIFACtor.jl is a thermodynamics package for Julia
Language: Julia - Size: 156 KB - Last synced: 4 months ago - Pushed: about 1 year ago - Stars: 0 - Forks: 0
mdpetters/KAFGA
MATLAB/GNU Octave code to predict the hygroscopicity parameter kappa for organic compounds from functional group composition.
Language: Matlab - Size: 37.6 MB - Last synced: 4 months ago - Pushed: almost 6 years ago - Stars: 1 - Forks: 1
