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GitHub / XieResearchGroup / Physics-aware-Multiplex-GNN

Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/XieResearchGroup%2FPhysics-aware-Multiplex-GNN

Stars: 47
Forks: 9
Open Issues: 0

License: None
Language: Python
Repo Size: 1.04 MB
Dependencies: 8

Created: about 1 year ago
Updated: 28 days ago
Last pushed: 28 days ago
Last synced: 28 days ago

Topics: computational-biology, computational-chemistry, docking, geometric-deep-learning, graph-neural-networks, machine-learning, protein-ligand-interactions, rna-structure-prediction

Files
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    Readme
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    Dependencies
    requirements.txt pypi