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Ross Irwin
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Chemformer: a pre-trained transformer for computational chemistry
R Irwin, S Dimitriadis, J He, EJ Bjerrum
Machine Learning: Science and Technology 3 (1), 015022, 2022
1702022
PySMILESUtils–Enabling deep learning with the SMILES chemical language
E Bjerrum, T Rastemo, R Irwin, C Kannas, S Genheden
42021
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Articles 1–2