pyscal-rdf 0.2.3

Ontology based structural manipulation and quering

pyscal_rdf

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:

Jupyter notebook	GUI

Installation

Supported operating systems

pyscal_rdf can be installed on Linux and Mac OS based systems. On Windows systems, it is recommended to use Windows subsystem for Linux.

Using pip

pip install pyscal-rdf

Using conda

conda install -c conda-forge pyscal-rdf

Building from the repository

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 .

Using pyscal_rdf

Coming soon..

Acknowledgements

This work is supported by the NFDI-Matwerk consortia.

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524