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1. atomman atomman Public

   Atomistic Manipulation Toolkit

   Python 35 47

2. potentials potentials Public

   API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed properties.

   Jupyter Notebook 5 3

3. DataModelDict DataModelDict Public

   DataModelDict class for representing data models equivalently in Python, JSON, and XML.

   Python 4 7

4. iprPy iprPy Public

   NIST Interatomic Potential Repository property calculation tools

   Jupyter Notebook 13 26

5. potentials-library potentials-library Public

   Complete library directory for the potentials Python package, i.e. contains copies of records from potentials.nist.gov

   Forth 4 4

6. yabadaba yabadaba Public

   Yay, a base database! An abstraction layer allowing for common interactions with Mongo, CDCS and local directory databases and records.

   Python 2 3