GitHub - Chemwzd/sugar: A Python Package for Prediction of Supramolecular Recognition in Porous Molecular Materials

Chemwzd / sugar Public

A Python Package for Prediction of Supramolecular Recognition in Porous Molecular Materials

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Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
__pycache__		__pycache__
extra_func		extra_func
forcefield		forcefield
mol		mol
pywindow		pywindow
scratch		scratch
LICENSE.md		LICENSE.md
__init__.py		__init__.py
atom.py		atom.py
bond.py		bond.py
cube.py		cube.py
forcefield_assign.py		forcefield_assign.py
mol_database.py		mol_database.py
molecule.py		molecule.py
monte_carlo.py		monte_carlo.py
pore.py		pore.py
readme		readme
trajectory_analysis.py		trajectory_analysis.py
utilities.py		utilities.py
voronoi_diagram.py		voronoi_diagram.py

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SUpramolecular recoGnition prediction in porous moleculAR materials

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A Python Package for Prediction of Supramolecular Recognition in Porous Molecular Materials

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