I am a tenured Associate Professor in the Department of Computer Science at Virginia Tech.
My primary research interests are computational biology and applied machine learning with a particular focus on AI-powered molecular modeling.
I am also interested in applications of data science in bioinformatics.
My recent projects are focused on developing data-driven machine learning and optimization algorithms to elucidate complex relationships
between macromolecular sequences, structures, functions, interactions, and folding pathways.
I am a recipient of the NSF CAREER Award (2020), NIH MIRA (R35) Award from NIGMS (2020),
AU Ginn Faculty Fellowship (2020), AU Outstanding Engineering Faculty Award (2019), and MU Outstanding CS Ph.D. Student Award (2014).
Before joining Virginia Tech, I was an Assistant Professor at Auburn University (2017 - 2021) and at Wichita State University (2016 - 2017).
I obtained my Ph.D. in Computer Science from the University of Missouri - Columbia in 2016 under the supervision of Prof. Jianlin Cheng.
Office: 3120B Torgersen Hall
620 Drillfield Drive
Blacksburg, VA 24061
Phone: (540) 231-2865
Fax: (540) 231-6075
Email: dbhattacharya@vt.edu
NEWS
4 Jun. 2024:
Grateful and excited to have received an NIH equipment supplement grant to acquire a new NVIDIA DGX H100 GPU cluster to accelerate foundational deep learning method development for protein modeling.
22 May 2024:
Our proposal was selected to be supported through the NSF-led National AI Research Resource Pilot awards. Thrilled to be a part of this exciting opportunity. [VT News]
23 Apr. 2024:
Ph.D. student Rahmatullah Roche accepted a tenure-track Assistant Professor position in the Computer Science department at Columbus State University. Congratulations!
28 Mar. 2024:
Congratulations to Ph.D. student Rahmatullah Roche for receiving the 3rd place award in the Flash Talk category at the VT GPSS Graduate Research Symposium.
28 Jan. 2024:
New Nucleic Acids Research paper published. Congratulations to Roche, Bernie, Hossain, and Sumit!
16 Jan. 2024:
Welcome to Erin Wienke who joined us as a Ph.D. student.
8 Dec. 2023:
We enjoyed a group lunch to honor our newest Ph.D. graduate Md Hossain Shuvo and bid him farewell.
5 Dec. 2023:
Congratulations to Md Hossain Shuvo for successfully defendeding his Ph.D. dissertation! Hossain will move on to be an Assistant Professor at Prairie View A&M University.
10 Nov. 2023:
Ph.D. student Md Hossain Shuvo accepted a tenure-track Assistant Professor position in the Computer Science department at Prairie View A&M University. Congratulations!
14 Sep. 2023:
Congratulations to Ph.D. student Rahmatullah Roche for receiving a Pratt Fellowship!
2 Sep. 2023:
We enjoyed a group hike to the McAfee Knob.
31 Aug. 2023:
New PLoS Computational Biology paper published. Congratulations to Roche, Bernie, and Hossain!
10 Aug. 2023:
Welcome to Dr. Trevor Norton who joined us as a postdoc.
1 Aug. 2023:
We moved into a new lab space at 3120 Torgersen Hall.
31 Jul. 2023:
New PNAS paper published. Congratulations to Bernie and Roche!
27 Jul. 2023:
Our PPP proposal is selected for a DA 2.0 Phase II award. Thrilled to be a part of this transdisciplinary team.
25 Jul. 2023:
Congratulations to Ph.D. student Md Hossain Shuvo for receiving a Pratt Fellowship!
25 Jul. 2023:
Congratulations to Ph.D. student Bernard Moussad for receiving a Walts Fellowship!
20 Jun. 2023:
New Bioinformatics Advances paper published. Congratulations to Hossain, Mohimenul, and Roche!
8 Jun. 2023:
Thankful to have received tenure at Virginia Tech. This bulletin started.
Announcements
We are always looking for self-motivated Ph.D. students. If you are interested, please apply through the CS at VT Ph.D. admissions process while mentioning my name in your application package and send me an email at dbhattacharya@vt.edu.
Prospective Postdocs:
We have multiple postdoc positions funded by grants and/or Presidential Postdoctoral Fellowships. If you are interested, please apply online at jobs.vt.edu (Job no: 524544).
Important Note: If you are interested in working with us, the best thing to do is to read several of our recent papers to get a sense of our research and figure out mutual interest. Please understand that we receive a lot of emails/applications, and we may not be able to respond to inquiries that do not exhibit a clear match.
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EquiPNAS: improved protein-nucleic acid binding site prediction using protein-language-model-informed equivariant deep graph neural networks
Rahmatullah Roche, Bernard Moussad, Md Hossain Shuvo, Sumit Tarafder, Debswapna Bhattacharya
Nucleic Acids Research, gkae039, 2024
Abstract • PDF • GitHub
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The transformative power of transformers in protein structure prediction
Bernard Moussad, Rahmatullah Roche, Debswapna Bhattacharya
Proceedings of the National Academy of Sciences, 120 (32) e2303499120, 2023
Abstract • PDF • GitHub
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E(3) equivariant graph neural networks for robust and accurate protein-protein interaction site prediction
Rahmatullah Roche, Bernard Moussad, Md Hossain Shuvo, Debswapna Bhattacharya
PLOS Computational Biology, 19(8): e1011435, 2023
Abstract • PDF • GitHub
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PIQLE: protein-protein interface quality estimation by deep graph learning of multimeric interaction geometries
Md Hossain Shuvo, Mohimenul Karim, Rahmatullah Roche, Debswapna Bhattacharya
Bioinformatics Advances, 3 (1) vbad070, 2023
Abstract • PDF • GitHub
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DisCovER: distance- and orientation-based covariational threading for weakly homologous proteins
Sutanu Bhattacharya, Rahmatullah Roche, Bernard Moussad, Debswapna Bhattacharya
PROTEINS: Structure, Function, and Bioinformatics, 90(2): 579-588, 2022
Abstract • PDF • GitHub
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QDeep: distance-based protein model quality estimation by residue-level ensemble error classifications using stacked deep residual neural networks
Md Hossain Shuvo, Sutanu Bhattacharya, Debswapna Bhattacharya
Intelligent Systems for Molecular Biology (ISMB), 2020
Bioinformatics, 36(S1): i285-i291, 2020
Abstract • PDF • GitHub
© Debswapna Bhattacharya,