Debsindhu Bhowmik

23 papers B 2Journal 15Unranked 5
YearRankTypeTitle / Venue / Authors
2025 J jnl
RLMolLM: Reinforcement Learning-Enhanced Language Model Framework for Inverse Molecular Design.
J. Chem. Inf. Model.
Xiaobo Lin, Debsindhu Bhowmik, Logan T. Kearney, Amit K. Naskar
2024 J jnl
Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms.
Patterns
Debsindhu Bhowmik, Pei Zhang, Zachary R. Fox, Stephan Irle, John Gounley
2023 J jnl
Adaptive language model training for molecular design.
J. Cheminformatics
Andrew E. Blanchard, Debsindhu Bhowmik, Zachary R. Fox, John Gounley, Jens Glaser, Belinda S. Akpa, Stephan Irle
2023 J jnl
Transferring a Molecular Foundation Model for Polymer Property Predictions.
J. Chem. Inf. Model.
Pei Zhang, Logan T. Kearney, Debsindhu Bhowmik, Zachary R. Fox, Amit K. Naskar, John Gounley
2023 J jnl
Transferring a molecular foundation model for polymer property predictions.
CoRR
Pei Zhang, Logan T. Kearney, Debsindhu Bhowmik, Zachary R. Fox, Amit K. Naskar, John Gounley
2022 J jnl
Automating Genetic Algorithm Mutations for Molecules Using a Masked Language Model.
IEEE Trans. Evol. Comput.
Andrew E. Blanchard, Mayanka Chandra Shekar, Shang Gao, John Gounley, Isaac Lyngaas, Jens Glaser, Debsindhu Bhowmik
2022 B conf
Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models.
SMC
Andrew E. Blanchard, Pei Zhang, Debsindhu Bhowmik, Kshitij Mehta, John Gounley, Samuel Temple Reeve, Stephan Irle, Massimiliano Lupo Pasini
2022 J jnl
Language models for the prediction of SARS-CoV-2 inhibitors.
Int. J. High Perform. Comput. Appl.
Andrew E. Blanchard, John Gounley, Debsindhu Bhowmik, Mayanka Chandra Shekar, Isaac Lyngaas, Shang Gao, Junqi Yin, Aristeidis Tsaris, Feiyi Wang, Jens Glaser
2022 J jnl
ProtTrans: Toward Understanding the Language of Life Through Self-Supervised Learning.
IEEE Trans. Pattern Anal. Mach. Intell.
Ahmed Elnaggar, Michael Heinzinger, Christian Dallago, Ghalia Rehawi, Yu Wang, Llion Jones, Tom Gibbs, Tamas Feher, Christoph Angerer, Martin Steinegger, Debsindhu Bhowmik, Burkhard Rost
2021 J jnl
Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites.
J. Chem. Inf. Model.
Eunice Cho, Margarida Rosa, Ruhi Anjum, Saman Mehmood, Mariya Soban, Moniza Mujtaba, Khair Bux, Syed Tarique Moin, Mohammad Tanweer, Sarath Chandra Dantu, Alessandro Pandini, Junqi Yin, Heng Ma, Arvind Ramanathan, Barira Islam, Antonia S. J. S. Mey, Debsindhu Bhowmik, Shozeb M. Haider
2021 — conf
How Distinct Structural Flexibility within SARS-CoV-2 Spike Protein Reveals Potential Therapeutic Targets.
IEEE BigData
Serena H. Chen, M. Todd Young, John Gounley, Christopher B. Stanley, Debsindhu Bhowmik
2021 B conf
Secure Collaborative Environment for Seamless Sharing of Scientific Knowledge.
SMC
Srikanth B. Yoginath, Mathieu Doucet, Debsindhu Bhowmik, David Heise, Folami Alamudun, Hong-Jun Yoon, Christopher B. Stanley
2021 J jnl
Using GANs with adaptive training data to search for new molecules.
J. Cheminformatics
Andrew E. Blanchard, Christopher B. Stanley, Debsindhu Bhowmik
2020 J jnl
ProtTrans: Towards Cracking the Language of Life's Code Through Self-Supervised Deep Learning and High Performance Computing.
CoRR
Ahmed Elnaggar, Michael Heinzinger, Christian Dallago, Ghalia Rehawi, Yu Wang, Llion Jones, Tom Gibbs, Tamas Feher, Christoph Angerer, Martin Steinegger, Debsindhu Bhowmik, Burkhard Rost
2020 J jnl
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.
J. Chem. Inf. Model.
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
2019 — conf
Deep Generative Model Driven Protein Folding Simulations.
PARCO
Heng Ma, Debsindhu Bhowmik, Hyungro Lee, Matteo Turilli, Michael T. Young, Shantenu Jha, Arvind Ramanathan
2019 — conf
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding.
DLS@SC
Hyungro Lee, Matteo Turilli, Shantenu Jha, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan
2019 J jnl
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding.
CoRR
Hyungro Lee, Heng Ma, Matteo Turilli, Debsindhu Bhowmik, Shantenu Jha, Arvind Ramanathan
2019 — conf
Towards Native Execution of Deep Learning on a Leadership-Class HPC System.
IPDPS Workshops
Srikanth B. Yoginath, Md. Maksudul Alam, Arvind Ramanathan, Debsindhu Bhowmik, Nouamane Laanait, Kalyan S. Perumalla
2019 — conf
Visual Analytics for Deep Embeddings of Large Scale Molecular Dynamics Simulations.
IEEE BigData
Junghoon Chae, Debsindhu Bhowmik, Heng Ma, Arvind Ramanathan, Chad A. Steed
2018 J jnl
Deep clustering of protein folding simulations.
BMC Bioinform.
Debsindhu Bhowmik, Shang Gao, Michael T. Young, Arvind Ramanathan
2017 J jnl
An automated analysis workflow for optimization of force-field parameters using neutron scattering data.
J. Comput. Phys.
Vickie E. Lynch, Jose M. Borreguero, Debsindhu Bhowmik, Panchapakesan Ganesh, Bobby G. Sumpter, Thomas Proffen, Monojoy Goswami
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