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1. mofstructure mofstructure Public

   A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of building units

   Jupyter Notebook 18

2. Pairwise-RMSD Pairwise-RMSD Public

   A simple python script to compute pairwise rmds from MD trajectory files. This script is compatible with all python versions. To run the script just type "python rmsd trajectory.xyz"

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3. nomad-mofschema-plugin nomad-mofschema-plugin Public

   Forked from nomad-coe/nomad-schema-plugin-example

   A nomad plugin for parsing experimental synthetic conditions in nomad.

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4. autografs autografs Public

   Forked from DCoupry/autografs

   Python library for generation of MOFs, COFs, Zeolites...

   Python

5. Layer_builder Layer_builder Public

6. read_rkf read_rkf Public

   Python