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National University of Singapore / University of Science and Technology of China / Chinese University of Hong Kong / Hokkaido University
Released February 18, 2025
3D molecule generation that writes a valid 1D SELFIES string with a pretrained language model, then predicts its conformer with a diffusion module.
Sequence-only pKa prediction for six titratable side chains and both termini, using a frozen protein language model and isoelectric-point features.