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Open-Source Fermionic Neural Networks with Ionic Charge Initialization

Shai Pranesh, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar

2024-1-16

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Building AI Models of Patient-specific Drug Side Effect Predictions

Bharath Ramsundar, Sandya Subramanian

2023-12-07

Differentiable Modeling and Optimization of Battery Electrolyte Mixtures Using Geometric Deep Learning

Shang Zhu, Bharath Ramsundar, Emil Annevelink, Hongyi Lin, Adarsh Dave, Pin-Wen Guana, Kevin Gering, Venkatasubramanian Viswanathan

2023-10-03

Scientific discovery in the age of artificial intelligence

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 Manrai, Debora Marks, Bharath Ramsundar, Le Song, Jimeng Sun, Jian Tang, …Marinka Zitnik

2023-08-02

AutoMat: Automated materials discovery for electrochemical systems

Emil Annevelink, Rachel Kurchin, Eric Muckley, Lance Kavalsky, Vinay I. Hegde, Valentin Sulzer, Shang Zhu, Jiankun Pu, David Farina, Matthew Johnson, Dhairya Gandhi, Adarsh Dave, Hongyi Lin, Alan Edelman, Bharath Ramsundar, James Saal, Christopher Rackauckas, Viral Shah, Bryce Meredig & Venkatasubramanian Viswanathan

2022-12-22

ChemBERTa-2: Towards Chemical Foundation Models

Walid Ahmad, Elana Simon, Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

2022-08-07

Score-Based Generative Models for Molecule Generation

Dwaraknath Gnaneshwar, Bharath Ramsundar, Dhairya Gandhi, Rachel Kurchin, Venkatasubramanian Viswanathan

2022-03-7

FastFlows: Flow-Based Models for Molecular Graph Generation

Nathan C. Frey, Vijay Gadepally, Bharath Ramsundar

2022-01-28

Bringing Atomistic Deep Learning to Prime Time

Nathan C. Frey, Siddharth Samsi, Bharath Ramsundar, Connor W Coley, Vijay Gadepally

2021-12-09

ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction

Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

2021-09-14

Differentiable Physics : A Position Piece

Bharath Ramsundar, Dilip Krishnamurthy, Venkatasubramanian Viswanathan

2021-09-14

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