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The prowess of MGNN also extends to dynamic simulations, accurately predicting the structural and kinetic properties of complex systems such as amorphous electrolytes, with results that closely align with those from ab-initio simulations. The application of MGNN to the simulation of molecular spectra ...
MetricGNN (MGNN) This repository contains the reference implementation code for the paper "MGNN: Graph Neural Networks Inspired by the Distance Geometry Problem" (KDD 2023). Note: Our experiments were conducted on a server equipped with a TITAN V GPU and a Quadro RTX 8000 GPU, with CUDA ve...
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