A tool to create a Voronoi diagram for polygons
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Updated
Apr 18, 2025 - Python
A tool to create a Voronoi diagram for polygons
Python code that can be used to analyze molecular dynamics simulations of proteins/polymers solvated in water. The first and second hydration shells are calculated, the molecular volume, the partial molar volume, and the number of waters associated with each side chain are calculated. This is specifically for PNIPAM but can be modified fairly ea…
Periodic Voronoi Tesselation of Crystals and Feature Extraction for Quantum Machine Learning in Python
Geographical Masking methods. Applicable to discrete confidential-private-sensitive geodata.
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