Debsindhu Bhowmik

According to our database, Debsindhu Bhowmik authored at least 20 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms.

Debsindhu Bhowmik, Pei Zhang, Zachary R. Fox, Stephan Irle, John Gounley

Patterns, 2024

2023

Transferring a Molecular Foundation Model for Polymer Property Predictions.

Pei Zhang, Logan T. Kearney, Debsindhu Bhowmik, Zachary R. Fox, Amit K. Naskar, John Gounley

J. Chem. Inf. Model., December, 2023

Adaptive language model training for molecular design.

Andrew E. Blanchard, Debsindhu Bhowmik, Zachary R. Fox, John Gounley, Jens Glaser, Belinda S. Akpa, Stephan Irle

J. Cheminformatics, December, 2023

2022

Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model.

Andrew E. Blanchard, Mayanka Chandra Shekar, Shang Gao, John Gounley, Isaac Lyngaas, Jens Glaser, Debsindhu Bhowmik

IEEE Trans. Evol. Comput., 2022

ProtTrans: Toward Understanding the Language of Life Through Self-Supervised Learning.

Ahmed Elnaggar, Michael Heinzinger, Christian Dallago, Ghalia Rehawi, Yu Wang, Llion Jones, Tom Gibbs, Tamas Feher, Christoph Angerer, Martin Steinegger, Debsindhu Bhowmik, Burkhard Rost

IEEE Trans. Pattern Anal. Mach. Intell., 2022

Language models for the prediction of SARS-CoV-2 inhibitors.

Andrew E. Blanchard, John Gounley, Debsindhu Bhowmik, Mayanka Chandra Shekar, Isaac Lyngaas, Shang Gao, Junqi Yin, Aristeidis Tsaris, Feiyi Wang, Jens Glaser

Int. J. High Perform. Comput. Appl., 2022

Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models.

Andrew E. Blanchard, Pei Zhang, Debsindhu Bhowmik, Kshitij Mehta, John Gounley, Samuel Temple Reeve, Stephan Irle, Massimiliano Lupo Pasini

Proceedings of the Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation, 2022

2021

Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites.

Eunice Cho, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, Syed Tarique Moin, Mohammad Tanweer, Sarath Dantu, Alessandro Pandini, Junqi Yin, Heng Ma, Arvind Ramanathan, Barira Islam, Antonia S. J. S. Mey, Debsindhu Bhowmik, Shozeb M. Haider

J. Chem. Inf. Model., 2021

Using GANs with adaptive training data to search for new molecules.

Andrew E. Blanchard, Christopher B. Stanley, Debsindhu Bhowmik

J. Cheminformatics, 2021

Secure Collaborative Environment for Seamless Sharing of Scientific Knowledge.

Srikanth B. Yoginath, Mathieu Doucet, Debsindhu Bhowmik, David Heise, Folami Alamudun, Hong-Jun Yoon, Christopher B. Stanley

Proceedings of the Driving Scientific and Engineering Discoveries Through the Integration of Experiment, Big Data, and Modeling and Simulation, 2021

How Distinct Structural Flexibility within SARS-CoV-2 Spike Protein Reveals Potential Therapeutic Targets.

Serena H. Chen, M. Todd Young, John Gounley, Christopher B. Stanley, Debsindhu Bhowmik

Proceedings of the 2021 IEEE International Conference on Big Data (Big Data), 2021

2020

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.

Atanu Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, Kendall G. Byler, Sam Yen-Chi Chen, Leighton Coates, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar R. Hernandez, Stephan Irle, Daniel W. Kneller, Andrey Kovalevsky, Jeffrey M. Larkin, Travis J. Lawrence, Scott LeGrand, Shih-Hsien Liu, Julie C. Mitchell, Gilchan Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, Line Pouchard, Arvind Ramanathan, David M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Yue Shen, Jeremy C. Smith, Micholas Dean Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh Vincent Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti Polzi

J. Chem. Inf. Model., 2020

ProtTrans: Towards Cracking the Language of Life's Code Through Self-Supervised Deep Learning and High Performance Computing.

Ahmed Elnaggar, Michael Heinzinger, Christian Dallago, Ghalia Rehawi, Yu Wang, Llion Jones, Tom Gibbs, Tamas Feher, Christoph Angerer, Martin Steinegger, Debsindhu Bhowmik, Burkhard Rost

CoRR, 2020

2019

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding.

Hyungro Lee, Matteo Turilli, Shantenu Jha, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan

Proceedings of the Third IEEE/ACM Workshop on Deep Learning on Supercomputers, 2019

Deep Generative Model Driven Protein Folding Simulations.

Heng Ma, Debsindhu Bhowmik, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan

Proceedings of the Parallel Computing: Technology Trends, 2019

Towards Native Execution of Deep Learning on a Leadership-Class HPC System.

Srikanth B. Yoginath, Md. Maksudul Alam, Arvind Ramanathan, Debsindhu Bhowmik, Nouamane Laanait, Kalyan S. Perumalla

Proceedings of the IEEE International Parallel and Distributed Processing Symposium Workshops, 2019

Visual Analytics for Deep Embeddings of Large Scale Molecular Dynamics Simulations.

Junghoon Chae, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan, Chad A. Steed

Proceedings of the 2019 IEEE International Conference on Big Data (IEEE BigData), 2019

2018

Deep clustering of protein folding simulations.

Debsindhu Bhowmik, Shang Gao, Michael T. Young, Arvind Ramanathan

BMC Bioinform., 2018

2017

An automated analysis workflow for optimization of force-field parameters using neutron scattering data.

Vickie E. Lynch, Jose M. Borreguero, Debsindhu Bhowmik, Panchapakesan Ganesh, Bobby G. Sumpter, Thomas Proffen, Monojoy Goswami

J. Comput. Phys., 2017

2011

Study of microscopic dynamics of complex fluids containing charged hydrophobic species by neutron scattering coupled with molecular dynamics simulations . (Etude de la dynamique d'ions hydrophobes en solutions aqueuses par diffusion de neutrons et par simulation nume'rique).

Debsindhu Bhowmik

PhD thesis, 2011