WolframChemistry/ChemistryFunctions
Wolfram Language functions for Chemistry
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25 items
Implementation of Zero Knowledge proof interactive and non-interactive protocols
UML diagrams generation by introspection and direct specs
A collection of tools for Feynman diagrams in scalar field theories
Visualize constant pressure and constant temperature on an enthalpy vs entropy plot
Visualize quantum circuits with custom labels and layout
Use plot themes to control the appearance and level of detail
Define and visualize patterns for atoms, bonds and arbitrary substructures in a molecule
Visualize the convergence of a random planar point set toward a centroidal Voronoi configuration through changes in cell shapes and areas
Add carbon atoms to methane one by one to exhaustively list all alkanes with up to 10 carbon atoms
Create the graph underpinning a molecule and visualize cycles, partitions and communities in the graph
Detect molecular point groups describing the symmetry of a molecule