pyscal_rdf is a python tool for ontology-based creation, manipulation, and quering of structures. pyscal_rdf uses the Computational Material Sample Ontology (CMSO).
The package is currently under activate development and could be unstable.
You can try pyscal_rdf here:
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pyscal_rdf can be installed on Linux and Mac OS based systems. On Windows systems, it is recommended to use Windows subsystem for Linux.
We strongly recommend creating a conda environment for the installation. To see how you can install conda see here.
Once a conda distribution is available, the following steps will help set up an environment to use pyscal_rdf. First step is to clone the repository.
git clone https://github.com/pyscal/pyscal_rdf.git
After cloning, an environment can be created from the included file-
cd pyscal_rdf
conda env create -f environment.yml
This will install the necessary packages and create an environment called rdf. It can be activated by,
conda activate rdf
then, install pyscal_rdf using,
pip install .
Coming soon..
This work is supported by the NFDI-Matwerk consortia.