Pinned Loading
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DeloneCommons/pyvoro2
DeloneCommons/pyvoro2 PublicPython-first 2D/3D Voronoi and power/Laguerre tessellations: unmodified Voro++ bindings for 3D, planar tools, powerfit, diagnostics, and visualization.
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DeloneCommons/pbcgraph
DeloneCommons/pbcgraph PublicA compact Python library for translation-labeled periodic graphs on Z^d, with exact infinite-lift connectivity, SNF/torsion invariants, and instance-aware components.
Python
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muCommons/ILThermoPy
muCommons/ILThermoPy PublicPython API for the ILThermo 2.0 database with SMILES support
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DeloneCommons/atomref
DeloneCommons/atomref PublicSmall pure-Python package for curated atomic reference data and policy-based lookup in geometry and structure-analysis code.
Python
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scan_MS_PE
scan_MS_PE PublicComputational pipeline for analysis of MS data on polyethylene decomposition
Jupyter Notebook
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