Open-Source Fermionic Neural Networks with Ionic Charge Initialization
Shai Pranesh, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar
2024-1-16
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
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