Bharath Ramsundar

46 papers A* 1A 1B 1Journal 39Unranked 2

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	A fully differentiable framework for training proxy Exchange Correlation Functionals for periodic systems. CoRR Rakshit Kumar Singh, Aryan Amit Barsainyan, Bharath Ramsundar
2026	J	`jnl`	AgriVariant: Variant Effect Prediction using DeepChem-Variant for Precision Breeding in Rice. CoRR Ankita Vaishnobi Bisoi, Bharath Ramsundar
2026	J	`jnl`	Deepmechanics. CoRR Abhay Shinde, Aryan Amit Barsainyan, Jose Siguenza, Ankita Vaishnobi Bisoi, Rakshit Kr. Singh, Bharath Ramsundar
2026	J	`jnl`	Protect CoRR Shreyas Vinaya Sathyanarayana, Shah Rahil Kirankumar, Sharanabasava D. Hiremath, Bharath Ramsundar
2025	J	`jnl`	DeepChem Equivariant: SE(3)-Equivariant Support in an Open-Source Molecular Machine Learning Library. CoRR Jose Siguenza, Bharath Ramsundar
2025	J	`jnl`	DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning. CoRR Shreyas Vinaya Sathyanarayana, Rahil Shah, Sharanabasava D. Hiremath, Rishikesh Panda, Rahul Jana, Riya Singh, Rida Irfan, Ashwin Murali, Bharath Ramsundar
2025	J	`jnl`	Foundation Models for Discovery and Exploration in Chemical Space. CoRR Alexius Wadell, Anoushka Bhutani, Victor Azumah, Austin R. Ellis-Mohr, Celia Kelly, Hancheng Zhao, Anuj K. Nayak, Kareem Hegazy, Alexander Brace, Hongyi Lin, Murali Emani, Venkatram Vishwanath, Kevin Gering, Melisa Alkan, Tom Gibbs, Jack C. Wells, Lav R. Varshney, Bharath Ramsundar, Karthik Duraisamy, Michael W. Mahoney, Arvind Ramanathan, Venkatasubramanian Viswanathan
2024	J	`jnl`	A Modular Open Source Framework for Genomic Variant Calling. CoRR Ankita Vaishnobi Bisoi, Bharath Ramsundar
2024	J	`jnl`	Open Source Infrastructure for Automatic Cell Segmentation. CoRR Aaron Rock Menezes, Bharath Ramsundar
2024	J	`jnl`	Open source Differentiable ODE Solving Infrastructure. CoRR Rakshit Kr. Singh, Aaron Rock Menezes, Rida Irfan, Bharath Ramsundar
2024	J	`jnl`	Open-Source Fermionic Neural Networks with Ionic Charge Initialization. CoRR Shai Pranesh, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar
2024	J	`jnl`	Open-Source Molecular Processing Pipeline for Generating Molecules. CoRR V. Shreyas, Jose Siguenza, Karan Bania, Bharath Ramsundar
2024	J	`jnl`	Open-Source Protein Language Models for Function Prediction and Protein Design. CoRR Shivasankaran Vanaja Pandi, Bharath Ramsundar
2024	B	`conf`	Poster: Ensemble Methods for ADR Prediction. CHASE Danika Gupta, Bharath Ramsundar
2024	J	`jnl`	Self-supervised Pretraining for Partial Differential Equations. CoRR Varun Madhavan, Amal S. Sebastian, Bharath Ramsundar, Venkatasubramanian Viswanathan
2023	J	`jnl`	Differentiable Chemical Physics by Geometric Deep Learning for Gradient-based Property Optimization of Mixtures. CoRR Shang Zhu, Bharath Ramsundar, Emil Annevelink, Hongyi Lin, Adarsh Dave, Pin-Wen Guan, Kevin Gering, Venkatasubramanian Viswanathan
2023	J	`jnl`	Open Source Infrastructure for Differentiable Density Functional Theory. CoRR Advika Vidhyadhiraja, Arun Pa Thiagarajan, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar
2023	J	`jnl`	Scientific discovery in the age of artificial intelligence. Nat. Hanchen Wang, Tianfan Fu, Yuanqi Du, Wenhao Gao, Kexin Huang, Ziming Liu, Payal Chandak, Shengchao Liu, Peter Van Katwyk, Andreea Deac, Anima Anandkumar, Karianne Bergen, Carla P. Gomes, Shirley Ho, Pushmeet Kohli, Joan Lasenby, Jure Leskovec, Tie-Yan Liu, Arjun K. Manrai, Debora S. Marks, Bharath Ramsundar, Le Song, Jimeng Sun, Jian Tang, Petar Velickovic, Max Welling, Linfeng Zhang, Connor W. Coley, Yoshua Bengio, Marinka Zitnik
2022	J	`jnl`	ChemBERTa-2: Towards Chemical Foundation Models. CoRR Walid Ahmad, Elana Simon, Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar
2022	J	`jnl`	FastFlows: Flow-Based Models for Molecular Graph Generation. CoRR Nathan C. Frey, Vijay Gadepally, Bharath Ramsundar
2022	J	`jnl`	Score-Based Generative Models for Molecule Generation. CoRR Dwaraknath Gnaneshwar, Bharath Ramsundar, Dhairya Gandhi, Rachel C. Kurchin, Venkatasubramanian Viswanathan
2021	J	`jnl`	Bringing Atomistic Deep Learning to Prime Time. CoRR Nathan C. Frey, Siddharth Samsi, Bharath Ramsundar, Connor W. Coley, Vijay Gadepally
2021	J	`jnl`	Differentiable Physics: A Position Piece. CoRR Bharath Ramsundar, Dilip Krishnamurthy, Venkatasubramanian Viswanathan
2020	J	`jnl`	AMPL: A Data-Driven Modeling Pipeline for Drug Discovery. J. Chem. Inf. Model. Amanda J. Minnich, Kevin McLoughlin, Margaret Tse, Jason Deng, Andrew Weber, Neha Murad, Benjamin D. Madej, Bharath Ramsundar, Tom Rush, Stacie Calad-Thomson, Jim Brase, Jonathan E. Allen
2020	J	`jnl`	ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction. CoRR Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar
2019	—	`ed.`	2019 USENIX Conference on Operational Machine Learning, OpML 2019, Santa Clara, CA, USA, May 20, 2019. OpML Bharath Ramsundar, Nisha Talagala
2019	J	`jnl`	AMPL: A Data-Driven Modeling Pipeline for Drug Discovery. CoRR Amanda J. Minnich, Kevin McLoughlin, Margaret Tse, Jason Deng, Andrew Weber, Neha Murad, Benjamin D. Madej, Bharath Ramsundar, Tom Rush, Stacie Calad-Thomson, Jim Brase, Jonathan E. Allen
2019	J	`jnl`	From Data Science to Production ML: Introducing USENIX OpML. login Usenix Mag. Nisha Talagala, Bharath Ramsundar, Swaminathan Sundararaman
2019	J	`jnl`	Secure Computation in Decentralized Data Markets. CoRR Fattaneh Bayatbabolghani, Bharath Ramsundar
2018	—	`—`	Molecular machine learning with DeepChem. Bharath Ramsundar
2018	J	`jnl`	Solving the RNA design problem with reinforcement learning. PLoS Comput. Biol. Peter K. Eastman, Jade Shi, Bharath Ramsundar, Vijay S. Pande
2018	J	`jnl`	Spatial Graph Convolutions for Drug Discovery. CoRR Evan N. Feinberg, Debnil Sur, Brooke E. Husic, Doris Mai, Yang Li, Jianyi Yang, Bharath Ramsundar, Vijay S. Pande
2018	J	`jnl`	Tokenized Data Markets. CoRR Bharath Ramsundar, Roger Chen, Alok Vasudev, Rob Robbins, Artur Gorokh
2017	J	`jnl`	Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity. CoRR Joseph Gomes, Bharath Ramsundar, Evan N. Feinberg, Vijay S. Pande
2017	J	`jnl`	Is Multitask Deep Learning Practical for Pharma? J. Chem. Inf. Model. Bharath Ramsundar, Bowen Liu, Zhenqin Wu, Andreas Verras, Matthew Tudor, Robert P. Sheridan, Vijay S. Pande
2017	J	`jnl`	MoleculeNet: A Benchmark for Molecular Machine Learning. CoRR Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg, Joseph Gomes, Caleb Geniesse, Aneesh S. Pappu, Karl Leswing, Vijay S. Pande
2017	J	`jnl`	Retrosynthetic reaction prediction using neural sequence-to-sequence models. CoRR Bowen Liu, Bharath Ramsundar, Prasad Kawthekar, Jade Shi, Joseph Gomes, Quang Luu Nguyen, Stephen Ho, Jack Sloane, Paul Wender, Vijay S. Pande
2016	J	`jnl`	Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches. J. Chem. Inf. Model. Govindan Subramanian, Bharath Ramsundar, Vijay S. Pande, Rajiah Aldrin Denny
2016	J	`jnl`	Learning Protein Dynamics with Metastable Switching Systems. CoRR Bharath Ramsundar, Vijay S. Pande
2016	J	`jnl`	Low Data Drug Discovery with One-shot Learning. CoRR Han Altae-Tran, Bharath Ramsundar, Aneesh S. Pappu, Vijay S. Pande
2015	J	`jnl`	Massively Multitask Networks for Drug Discovery. CoRR Bharath Ramsundar, Steven Kearnes, Patrick Riley, Dale Webster, David E. Konerding, Vijay S. Pande
2014	—	`conf`	NVMKV: A Scalable and Lightweight Flash Aware Key-Value Store. HotStorage Leonardo Mármol, Swaminathan Sundararaman, Nisha Talagala, Raju Rangaswami, Sushma Devendrappa, Bharath Ramsundar, Sriram Ganesan
2014	A*	`conf`	Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models. ICML Robert McGibbon, Bharath Ramsundar, Mohammad Sultan, Gert Kiss, Vijay S. Pande
2013	A	`conf`	Dynamic Scaled Sampling for Deterministic Constraints. AISTATS Lei Li, Bharath Ramsundar, Stuart Russell
2013	J	`jnl`	The Extended Parameter Filter CoRR Yusuf Erol, Lei Li, Bharath Ramsundar, Stuart Russell
2013	—	`conf`	The Extended Parameter Filter. ICML (3) Yusuf Erol, Lei Li, Bharath Ramsundar, Stuart Russell