Search Results for author: Kshitij Mehta

Found 3 papers, 1 papers with code

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules

no code implementations22 Jul 2022 Jong Youl Choi, Pei Zhang, Kshitij Mehta, Andrew Blanchard, Massimiliano Lupo Pasini

Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures.

Distributed Computing Management

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