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Fermionic Neural Networks

Jan 16, 2024

Open-Source Fermionic Neural Networks with Ionic Charge Initialization

Shai Pranesh, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar

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Automated Models

Dec 7, 2023

Building AI Models of Patient-specific Drug Side Effect Predictions

Bharath Ramsundar, Sandya Subramanian

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Geometric Deep Learning

Oct 3, 2023

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

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Self-Supervised Learning

Geometric Deep Learning

Aug 2, 2023

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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Automated Workflow

Input generation

Simulation management

Dec 22, 2022

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

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Molecular Machine Learning

SMILES Strings

Aug 7, 2022

ChemBERTa-2: Towards Chemical Foundation Models

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

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Score-Based Models

Mar 7, 2022

Score-Based Generative Models for Molecule Generation

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

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Molecule Generation

Jan 28, 2022

FastFlows: Flow-Based Models for Molecular Graph Generation

Nathan C. Frey, Vijay Gadepally, Bharath Ramsundar

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Materials design

Molecule design

Dec 9, 2021

Bringing Atomistic Deep Learning to Prime Time

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

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Transformers

Sep 14, 2021

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

Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

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Differentiable Physics

Sep 14, 2021

Differentiable Physics : A Position Piece

Bharath Ramsundar, Dilip Krishnamurthy, Venkatasubramanian Viswanathan

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Our Mission

Investors & Media