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Project description

Molecular Interaction Rules

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Screenshot 2024-05-29 at 10 14 28 PM

QuickStart

Install

pip install molecular-interaction-rules 

Get Monomer Coordinates

from molecular_interaction_rules import KnowledgeGraph

Get Dimer Coordinates


Contact

Lead Developer: Suliman Sharif Co-Authors: Anmol Kumar, Alexander D. MacKerell Jr.

© Copyright 2024 – University of Maryland School of Pharmacy, Computer-Aided Drug Design Center All Rights Reserved

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Source Distribution

molecular_interaction_rules-0.5.94.tar.gz (48.8 kB view hashes)

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