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Differentiable Physics : A Position Piece

Bharath Ramsundar, Dilip Krishnamurthy, Venkatasubramanian Viswanathan

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

Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

Bringing Atomistic Deep Learning to Prime Time

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

FastFlows: Flow-Based Models for Molecular Graph Generation

Nathan C. Frey, Vijay Gadepally, Bharath Ramsundar

Score-Based Generative Models for Molecule Generation

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

ChemBERTa-2: Towards Chemical Foundation Models

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

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

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

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