GNNPCSAFT CAPE-OPEN
GNNPCSAFT CAPE-OPEN is a Property Package CAPE-OPEN implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily.
FeOs is used for PC-SAFT thermodynamic calculations such as VLE. Comtypes is used to implement the CAPE-OPEN COM interfaces. Only Windows is supported for now.
Other implementations with GNNPCSAFT:
How to Use
Installation
You need Python installed.
Installing the GNNPCSAFT CAPE-OPEN Property Package Server
pip install GNNPCSAFTPropertyPackage
Registering the Server
GNNPCSAFTPropertyPackage.exe -regserver
After registering the server, you can use it in any CAPE-OPEN compliant software.
Unregistering the Server
GNNPCSAFTPropertyPackage.exe -unregserver
Running the tests
The Python tests run with pytest. When COCO is installed, the supplied
flowsheets are also solved headlessly through COFEStand:
.\.venv\Scripts\python.exe -m pytest -q
If COCO is installed in a non-default location, set COFE_STAND to the full
path of COFEStand.exe. The thermodynamic calculations currently use residual
properties only; ideal-gas contributions are not part of the current test
scope.
License
GNU General Public License v3.0
1 maintainer
Metadata
1 maintainer
Release files for GNNPCSAFTPropertyPackage 0.3.1
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| gnnpcsaftpropertypackage-0.3.1.tar.gz | 63.3 kB | Details |
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| gnnpcsaftpropertypackage-0.3.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 135.7 kB
Release files / gnnpcsaftpropertypackage-0.3.1.tar.gz
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