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Sutanay Choudhury — most-cited papers & profile · AI for Science
← authors
·
overview
Sutanay Choudhury
10
papers ·
17
citations ·
15
h-index
Pacific Northwest National Laboratory
Google Scholar ↗
Semantic Scholar ↗
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Most-cited papers
ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback
2024 · 6 citations
Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design
2023 · 4 citations
Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19
2021 · 1 citations
Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry
2022 · 1 citations
Optimizing Data Distribution and Kernel Performance for Efficient Training of Chemistry Foundation Models: A Case Study with MACE
2025
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data
2020
Evening the Score: Targeting SARS-CoV-2 Protease Inhibition in Graph Generative Models for Therapeutic Candidates
2021
Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators
2022
Top co-authors
Henry W. Sprueill
· 3
Jenna A. Bilbrey
· 3
Logan Ward
· 3
Carl Edwards
· 2
Ganesh Sivaraman
· 2
Hatem Helal
· 2
Jesun Firoz
· 2
Mariefel V. Olarte
· 2
Sotiris S. Xantheas
· 2
Udishnu Sanyal
· 2
Ang Li
· 1
Ben Blaiszik
· 1
Topics
Chemistry
Materials
Drug Discovery
Medical AI
Protein Science
Physics ML