1 code implementation • 9 Jun 2023 • Kishalay Das, Pawan Goyal, Seung-Cheol Lee, Satadeep Bhattacharjee, Niloy Ganguly
In this work, we leverage textual descriptions of materials to model global structural information into graph structure and learn a more robust and enriched representation of crystalline materials.
1 code implementation • 14 Jan 2023 • Kishalay Das, Bidisha Samanta, Pawan Goyal, Seung-Cheol Lee, Satadeep Bhattacharjee, Niloy Ganguly
To leverage these untapped data, this paper presents CrysGNN, a new pre-trained GNN framework for crystalline materials, which captures both node and graph level structural information of crystal graphs using a huge amount of unlabelled material data.
no code implementations • 9 Feb 2020 • Sambaran Bandyopadhyay, Kishalay Das, M. Narasimha Murty
Then we propose to use graph convolution on the line graph of a hypergraph.