Search Results - "Chithrananda, Seyone"

Assigning confidence to molecular property prediction by Nigam, AkshatKumar, Pollice, Robert, Hurley, Matthew F D, Hickman, Riley J, Aldeghi, Matteo, Yoshikawa, Naruki, Chithrananda, Seyone, Voelz, Vincent A, Aspuru-Guzik, Alán

“…: Computational modeling has rapidly advanced over the last decades. Recently, machine learning has emerged as a powerful and cost-effective strategy to learn…”
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ChemBERTa-2: Towards Chemical Foundation Models by Ahmad, Walid, Simon, Elana, Chithrananda, Seyone, Grand, Gabriel, Ramsundar, Bharath

“…Large pretrained models such as GPT-3 have had tremendous impact on modern natural language processing by leveraging self-supervised learning to learn salient…”
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ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction by Chithrananda, Seyone, Grand, Gabriel, Ramsundar, Bharath

“…GNNs and chemical fingerprints are the predominant approaches to representing molecules for property prediction. However, in NLP, transformers have become the…”
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Assigning Confidence to Molecular Property Prediction by Nigam, AkshatKumar, Pollice, Robert, Hurley, Matthew F. D, Hickman, Riley J, Aldeghi, Matteo, Yoshikawa, Naruki, Chithrananda, Seyone, Voelz, Vincent A, Aspuru-Guzik, Alán

“…Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and…”
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