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Sai Krishna Sirumalla
Researcher, Xaira Therapeutics
Joined
April 2023
Names
Sai Krishna Sirumalla
(Preferred)
,
Sai K. Sirumalla
Emails
****@gmail.com
(Confirmed)
,
****@iambic.ai
(Confirmed)
,
****@xaira.com
(Confirmed)
Personal Links
Homepage
Google Scholar
DBLP
ORCID
LinkedIn
Career & Education History
Researcher
Xaira Therapeutics
(xaira.com)
2024
–
Present
Researcher
Iambic Therapeutics
(iambic.ai)
2020
–
2024
PhD student
Northeastern University
(northeastern.edu)
2017
–
2021
Undergrad student
Jawaharlal Nehru Technological University
(jntu.ac.in)
2012
–
2016
Advisors, Relations & Conflicts
Coworker
Guillaume Huguet
2024
–
Present
Coworker
Jason Yim
2024
–
Present
Coworker
Francisco Vargas
2024
–
Present
Coworker
Zhuoran Qiao
2021
–
2024
Coworker
Matt Welborn
2020
–
2024
PhD Advisor
Richard West
2017
–
2021
Expertise
diffusion models for chemistry
2022
–
Present
transformers for chemistry
2021
–
Present
graph neural networks
2018
–
Present
Publications
Scaling Multi-Modal and Multi-Task Transformers for Small Molecule Drug Discovery
David S. Farina Jr
,
Sai Krishna Sirumalla
,
Michiel J.M. Niesen
,
Daniele A. Di Cesare
,
Felipe Costa Farias
,
Michael B. O'Connor
,
Marcelo Gomes Pereira de Lacerda
,
Orion Walker Dollar
,
Peter Bygrave
,
Thomas Dresselhaus
,
Zhuoran Qiao
,
Rishi Shah
,
Jason Swails
,
Daniel Miles
,
Oliver Feighan
,
Stephen Opalenski
,
Wallace Derricotte
,
Feizhi Ding
,
Matthew Welborn
,
Fred Manby
et al. (1 additional authors not shown)
NeurIPS2025-AI4Science Poster
Readers:
Everyone
NeuralPLexer3: Accurate Biomolecular Complex Structure Prediction with Flow Models
Zhuoran Qiao
,
Feizhi Ding
,
Thomas Dresselhaus
,
Mia A. Rosenfeld
,
Xiaotian Han
,
Owen Lewis Howell
,
Aniketh Iyengar
,
Stephen Opalenski
,
Anders S Christensen
,
Sai Krishna Sirumalla
,
Fred Manby
,
Thomas Miller
,
Matthew Welborn
NeurIPS 2025 poster
Readers:
Everyone
Multi-Modal and Multi-Task Transformer for Small Molecule Drug Discovery
Sai Krishna Sirumalla
,
David Stephen Farina Jr
,
Zhuoran Qiao
,
Daniele Alessandro Di Cesare
,
Felipe Costas Farias
,
Michael Bernard O’Connor
,
Peter John Bygrave
,
Feizhi Ding
,
Thomas Dresselhaus
,
Marcelo Gomes Pereira de Lacerda
,
Jason Matthew Swails
,
Daniel Miles
,
Matthew Welborn
,
Fred Manby
,
Thomas Miller
ML4LMS Poster
Readers:
Everyone
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
Abigail C. Dommer
,
Lorenzo Casalino
,
Fiona L. Kearns
,
Mia Rosenfeld
,
Nicholas Wauer
,
Surl-Hee Ahn
,
John Russo
,
A. Sofia F. Oliveira
,
Clare Morris
,
Anthony T. Bogetti
,
Anda Trifan
,
Alexander Brace
,
Terra Sztain
,
Austin Clyde
,
Heng Ma
,
S. Chakra Chennubhotla
,
Hyungro Lee
,
Matteo Turilli
,
Syma Khalid
,
Teresa Tamayo-Mendoza
et al. (32 additional authors not shown)
Published: 01 Jan 2023, Last Modified: 02 May 2023
Int. J. High Perform. Comput. Appl. 2023
Readers:
Everyone
Co-Authors
A. Sofia F. Oliveira
Abigail C. Dommer
Abraham C. Stern
Adrian J. Mulholland
Alan Gray
Alexander Brace
Anda Trifan
Anders S Christensen
Anders S. Christensen
Aniketh Iyengar
Anima Anandkumar
Anthony T. Bogetti
Arvind Ramanathan
Austin Clyde
Bryan Barker
Christopher J. Woods
Clare Morris
Daniel G. A. Smith
Daniel M. Zuckerman
Daniel Miles
Daniele A. Di Cesare
Daniele Alessandro Di Cesare
David Clark
David J. Hardy
David S. Farina Jr
View all 79 co-authors