64 citations · 109 across the 11 of their papers we have counts for
3 papers · 1 filter
MIST-CF: Chemical formula inference from tandem mass spectra
Samuel Goldman, Jiayi Xin, Joules Provenzano +1
Chemical formula annotation for tandem mass spectrometry (MS/MS) data is the first step toward structurally elucidating unknown metabolites. While great strides have been made towa…
Prefix-Tree Decoding for Predicting Mass Spectra from Molecules
Samuel Goldman, John Bradshaw, Jiayi Xin +1
Computational predictions of mass spectra from molecules have enabled the discovery of clinically relevant metabolites. However, such predictive tools are still limited as they occ…
Retrieved Sequence Augmentation for Protein Representation Learning
Chang Ma, Haiteng Zhao, Lin Zheng +7
Protein language models have excelled in a variety of tasks, ranging from structure prediction to protein engineering. However, proteins are highly diverse in functions and structu…