Search Results for author: Kishalay Das

Found 3 papers, 2 papers with code

CrysMMNet: Multimodal Representation for Crystal Property Prediction

1 code implementation9 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.

Property Prediction

CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials

1 code implementation14 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.

Formation Energy Property Prediction

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