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large-scale-md

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abhijeetdhakane / gdy_pl

A Graph Dynamical Neural Network Approach for Decoding Dynamical States in Ferroelectrics.

molecular-dynamics coarse-grained-molecular-dynamics unsupervised-learning markov-process vamp graph-neural-networks ferroelectric pytorch-geometric koopman-operator large-scale-md variational-approach-markov-process

Updated Dec 29, 2025
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Gurshaan0 / gdy_pl

🧬 Analyze molecular dynamics with GDyNet-Ferro, a scalable PyTorch implementation of Graph Dynamical Networks for decoding ferroelectric states.

javascript python email molecular-dynamics smtp coarse-grained-molecular-dynamics unsupervised-learning markov-process vamp graph-neural-networks virtual-environment ferroelectric pytorch-geometric rrweb koopman-operator large-scale-md variational-approach-markov-process

Updated Feb 6, 2026
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