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B. Ramsundar · SciRah

Researcher profile · Semantic Scholar

B. Ramsundar

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B. Ramsundar — researcher profile on SciRah

h-index: 21
Works: 77
Citations: 15K

Most-cited papers

A guide to deep learning in healthcare
A. Esteva, Alexandre Robicquet, B. Ramsundar, Volodymyr Kuleshov +6 more
2019Nature Medicine4,938 citations
Semantic Scholar
MoleculeNet: a benchmark for molecular machine learning
Zhenqin Wu, B. Ramsundar, Evan N. Feinberg, Joseph Gomes +4 more
2017Chemical Science2,866 citations Open access
Semantic Scholar
Scientific discovery in the age of artificial intelligence
Hanchen Wang, Tianfan Fu, Yuanqi Du, Wen-Hao Gao +26 more
2023Nature1,987 citations Open access
Semantic Scholar
ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction
Seyone Chithrananda, Gabriel Grand, B. Ramsundar
2020arXiv.org864 citations
Semantic Scholar
Low Data Drug Discovery with One-Shot Learning
Altae-Tran Han, B. Ramsundar, Aneesh Pappu, V. Pande
2016ACS Central Science800 citations Open access
Semantic Scholar
Massively Multitask Networks for Drug Discovery
B. Ramsundar, S. Kearnes, Patrick F. Riley, D. Webster +2 more
2015arXiv.org506 citations
Semantic Scholar
Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models
Bowen Liu, B. Ramsundar, Prasad Kawthekar, Jade Shi +6 more
2017ACS Central Science503 citations Open access
Semantic Scholar
enchmark for molecular machine learning †
Zhenqin Wu, B. Ramsundar, Evan N. Feinberg, Joseph Gomes +4 more
2017488 citations
Semantic Scholar
PotentialNet for Molecular Property Prediction
Evan N. Feinberg, Debnil Sur, Zhenqin Wu, B. Husic +6 more
2018ACS Central Science444 citations Open access
Semantic Scholar
ChemBERTa-2: Towards Chemical Foundation Models
Walid Ahmad, Elana Simon, Seyone Chithrananda, Gabriel Grand +1 more
2022arXiv.org355 citations Open access
Semantic Scholar
Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches
G. Subramanian, B. Ramsundar, V. Pande, R. Denny
2016Journal of Chemical Information and Modeling313 citations
Semantic Scholar
Is Multitask Deep Learning Practical for Pharma?
B. Ramsundar, Bowen Liu, Zhenqin Wu, A. Verras +3 more
2017Journal of Chemical Information and Modeling244 citations Open access
Semantic Scholar
Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity
Joseph Gomes, B. Ramsundar, Evan N. Feinberg, V. Pande
2017arXiv.org210 citations
Semantic Scholar
TensorFlow for Deep Learning: From Linear Regression to Reinforcement Learning
B. Ramsundar, R. Zadeh
201881 citations
Semantic Scholar
AMPL: A Data-Driven Modeling Pipeline for Drug Discovery
Amanda J. Minnich, K. McLoughlin, M. Tse, Jason Deng +8 more
2019Journal of Chemical Information and Modeling78 citations Open access
Semantic Scholar
Solving the RNA design problem with reinforcement learning
P. Eastman, Jade Shi, B. Ramsundar, V. Pande
2018PLoS Comput. Biol.59 citations Open access
Semantic Scholar
NVMKV: A Scalable and Lightweight Flash Aware Key-Value Store
L. Mármol, S. Sundararaman, Nisha Talagala, R. Rangaswami +3 more
2014USENIX Workshop on Hot Topics in Storage and File Systems54 citations
Semantic Scholar
Differentiable modeling and optimization of non-aqueous Li-based battery electrolyte solutions using geometric deep learning
Shang Zhu, B. Ramsundar, Emil Annevelink, Hongyi Lin +4 more
2024Nature Communications46 citations Open access
Semantic Scholar
Molecular machine learning with DeepChem
B. Ramsundar
201839 citations
Semantic Scholar
ChemBERTa-3: An Open Source Training Framework for Chemical Foundation Models
Riya Singh, Aryan Amit Barsainyan, Rida Irfan, C. Amorin +14 more
2025Digital Discovery24 citations Open access
Semantic Scholar
Differentiable Physics: A Position Piece
B. Ramsundar, Dilip Krishnamurthy, V. Viswanathan
2021arXiv.org22 citations
Semantic Scholar
Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models
R. McGibbon, B. Ramsundar, Mohammad M. Sultan, G. Kiss +1 more
2014International Conference on Machine Learning20 citations
Semantic Scholar
Identification and Development of Therapeutics for COVID-19
H. Rando, N. Wellhausen, S. Ghosh, A. J. Lee +20 more
2021mSystems19 citations Open access
Semantic Scholar
FastFlows: Flow-Based Models for Molecular Graph Generation
Nathan C Frey, V. Gadepally, B. Ramsundar
2022arXiv.org18 citations
Semantic Scholar
Score-Based Generative Models for Molecule Generation
Dwaraknath Gnaneshwar, B. Ramsundar, Dhairya Gandhi, R. Kurchin +1 more
2022arXiv.org16 citations Open access
Semantic Scholar
AutoMat: Automated materials discovery for electrochemical systems
Emil Annevelink, R. Kurchin, Eric S. Muckley, Lance Kavalsky +16 more
2020MRS bulletin14 citations Open access
Semantic Scholar
SARS-CoV-2 and COVID-19: An Evolving Review of Diagnostics and Therapeutics
Halie M. Rando, C. Greene, Michael P. Robson, S. Boca +31 more
202012 citations
Semantic Scholar
The Extended Parameter Filter
Yusuf Erol, Lei Li, B. Ramsundar, Stuart J. Russell
2013International Conference on Machine Learning12 citations
Semantic Scholar
Foundation Models for Discovery and Exploration in Chemical Space
Alexius Wadell, Anoushka Bhutani, Victor Azumah, Austin R. Ellis-Mohr +18 more
2025arXiv.org10 citations
Semantic Scholar
Spatial Graph Convolutions for Drug Discovery
Evan N. Feinberg, Debnil Sur, B. Husic, Doris Mai +4 more
2018arXiv.org10 citations
Semantic Scholar
Dynamic Scaled Sampling for Deterministic Constraints
Lei Li, B. Ramsundar, Stuart J. Russell
2013International Conference on Artificial Intelligence and Statistics9 citations
Semantic Scholar
Publisher Correction: Scientific discovery in the age of artificial intelligence
Hanchen Wang, Tianfan Fu, Yuanqi Du, Wen-Hao Gao +26 more
2023Nature7 citations Open access
Semantic Scholar
TensorFlow for Deep Learning
B. Ramsundar, R. Zadeh
20195 citations
Semantic Scholar
Tokenized Data Markets
B. Ramsundar, Roger Chen, Alok Vasudev, R. Robbins +1 more
2018arXiv.org5 citations
Semantic Scholar
DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning
S. V. Sathyanarayana, Rahil Shah, Sharanabasava D. Hiremath, Rishikesh Panda +5 more
2025arXiv.org4 citations
Semantic Scholar
Density-based Neural Temporal Point Processes for Heartbeat Dynamics
Sandya Subramanian, B. Ramsundar
20254 citations
Semantic Scholar
DeepRetro discovers retrosynthetic pathways through iterative large language model reasoning
S. V. Sathyanarayana, Sharanabasava D. Hiremath, Shah Rahil Kirankumar, Rishikesh Panda +5 more
2026Scientific Reports3 citations Open access
Semantic Scholar
msmbuilder: MSMBuilder 3.4
R. McGibbon, Christian R. Schwantes, peastman, gkiss +10 more
20163 citations
Semantic Scholar
A Modular Open Source Framework for Genomic Variant Calling
Ankita Vaishnobi Bisoi, V. Shreyas, Jose Siguenza, B. Ramsundar
2024arXiv.org2 citations
Semantic Scholar
Open Source Infrastructure for Automatic Cell Segmentation
Aaron Rock Menezes, B. Ramsundar
2024arXiv.org1 citations
Semantic Scholar
Poster: Ensemble Methods for ADR Prediction
Danika Gupta, B. Ramsundar
2024IEEE/ACM International Conference on Connected Health: Applications, Systems and Engineering Technologies1 citations
Semantic Scholar
Self-supervised Pretraining for Partial Differential Equations
Varun Madhavan, Amal S. Sebastian, B. Ramsundar, Venkat Viswanathan
2024arXiv.org1 citations
Semantic Scholar
Open-Source Protein Language Models for Function Prediction and Protein Design
Shivasankaran Vanaja Pandi, B. Ramsundar
2024arXiv.org1 citations
Semantic Scholar
Differentiable Modeling and Optimization of Battery Electrolyte Mixtures Using Geometric Deep Learning
Shang Zhu, B. Ramsundar, Emil Annevelink, Hongyi Lin +4 more
20231 citations
Semantic Scholar
Building AI Models of Patient-specific Drug Side Effect Predictions
B. Ramsundar, Sandya Subramanian
20232023 IEEE EMBS Special Topic Conference on Data Science and Engineering in Healthcare, Medicine and Biology1 citations
Semantic Scholar
Open Source Infrastructure for Differentiable Density Functional Theory
Advika Vidhyadhiraja, A. Thiagarajan, Shang Zhu, Venkat Viswanathan +1 more
2023arXiv.org1 citations Open access
Semantic Scholar
Flow-Based Models for Active Molecular Graph Generation
Nathan C Frey, Bharath Ramsundar
20201 citations
Semantic Scholar
Learning Protein Dynamics with Metastable Switching Systems
B. Ramsundar, V. Pande
2016arXiv.org1 citations
Semantic Scholar
Unimodal vs Multimodal Learning: A Systematic Evaluation of Fusion Strategies and Model Design for Molecular Property Prediction and Uncertainty Quantification.
J. Wasswa, George William Kajjumba, B. Ramsundar
2026Journal of Chemical Information and Modeling0 citations
Semantic Scholar
Towards a Physiological Scaling Law: Model Quality vs. Cohort Size for Stochastic Sequence Data
Gayathri Sunil, Bhuvana Ravi Kumar, B. Ramsundar, Sandya Subramanian
2026bioRxiv0 citations Open access
Semantic Scholar

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