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@EPiCs-group @DeloneCommons @muCommons

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  1. DeloneCommons/pyvoro2 DeloneCommons/pyvoro2 Public

    Python-first 2D/3D Voronoi and power/Laguerre tessellations: unmodified Voro++ bindings for 3D, planar tools, powerfit, diagnostics, and visualization.

    Jupyter Notebook 3 1

  2. DeloneCommons/pbcgraph DeloneCommons/pbcgraph Public

    A compact Python library for translation-labeled periodic graphs on Z^d, with exact infinite-lift connectivity, SNF/torsion invariants, and instance-aware components.

    Python

  3. muCommons/ILThermoPy muCommons/ILThermoPy Public

    Python API for the ILThermo 2.0 database with SMILES support

    Python 12 1

  4. NistChemPy NistChemPy Public

    Python API for NIST Chemistry WebBook

    Python 55 8

  5. DeloneCommons/atomref DeloneCommons/atomref Public

    Small pure-Python package for curated atomic reference data and policy-based lookup in geometry and structure-analysis code.

    Python

  6. scan_MS_PE scan_MS_PE Public

    Computational pipeline for analysis of MS data on polyethylene decomposition

    Jupyter Notebook