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Bhuwan Sharma

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Open access Jul 2026

Learnable Graph Network Model (LGNM): A Physics Constrained Graph Neural Network with Quantum Hamiltonian Learning

The Learnable Graph Network Model (LGNM) is introduced, a heterogeneous ENM in which per-edge spring constants θij = fi · fj · (dc/rij)2 are parameterised by per-residue flexibility coefficients {fi} predicted by a physics-constrained Graph Neural Network (GNN).

Bhuwan Sharma, Chiranjib Sarkar · bioRxiv · 0 citations