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Bharath Ramsundar
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ChemBERTa-2: Towards Chemical Foundation Models


Sep 05, 2022
Walid Ahmad, Elana Simon, Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

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* ELLIS Machine Learning for Molecule Discovery Workshop 
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Score-Based Generative Models for Molecule Generation


Mar 07, 2022
Dwaraknath Gnaneshwar, Bharath Ramsundar, Dhairya Gandhi, Rachel Kurchin, Venkatasubramanian Viswanathan

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FastFlows: Flow-Based Models for Molecular Graph Generation


Jan 28, 2022
Nathan C. Frey, Vijay Gadepally, Bharath Ramsundar

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* 7 pages, 4 figures, ELLIS Machine Learning for Molecule Discovery Workshop 2021 
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Bringing Atomistic Deep Learning to Prime Time


Dec 09, 2021
Nathan C. Frey, Siddharth Samsi, Bharath Ramsundar, Connor W. Coley, Vijay Gadepally

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* 6 pages, 1 figure, NeurIPS 2021 AI for Science workshop 
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Differentiable Physics: A Position Piece


Sep 14, 2021
Bharath Ramsundar, Dilip Krishnamurthy, Venkatasubramanian Viswanathan

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* 12 pages, 1 figure 
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ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction


Oct 23, 2020
Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

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* Submitted to NeurIPS 2020 ML for Molecules Workshop 
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AMPL: A Data-Driven Modeling Pipeline for Drug Discovery


Nov 14, 2019
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

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MoleculeNet: A Benchmark for Molecular Machine Learning


Oct 26, 2018
Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg, Joseph Gomes, Caleb Geniesse, Aneesh S. Pappu, Karl Leswing, Vijay Pande

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PotentialNet for Molecular Property Prediction


Oct 22, 2018
Evan N. Feinberg, Debnil Sur, Zhenqin Wu, Brooke E. Husic, Huanghao Mai, Yang Li, Saisai Sun, Jianyi Yang, Bharath Ramsundar, Vijay S. Pande

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* 13 pages, 5 figures, 8 tables 
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