Search Results for author: Seyone Chithrananda

Found 3 papers, 3 papers with code

ChemBERTa-2: Towards Chemical Foundation Models

1 code implementation5 Sep 2022 Walid Ahmad, Elana Simon, Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

Large pretrained models such as GPT-3 have had tremendous impact on modern natural language processing by leveraging self-supervised learning to learn salient representations that can be used to readily finetune on a wide variety of downstream tasks.

Molecular Property Prediction Self-Supervised Learning

Assigning Confidence to Molecular Property Prediction

1 code implementation23 Feb 2021 AkshatKumar Nigam, Robert Pollice, Matthew F. D. Hurley, Riley J. Hickman, Matteo Aldeghi, Naruki Yoshikawa, Seyone Chithrananda, Vincent A. Voelz, Alán Aspuru-Guzik

Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design.

Molecular Docking Molecular Property Prediction

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