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Models/DiffMS

DiffMS

Reported on 6 benchmarks across 1 task · 1 paper · 4 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Miscellaneous6 results

De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 Accuracy· uses extra data· 2025-02-13
2.3
SOTA
DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra arXiv:2502.09571
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 Tanimoto· uses extra data· 2025-02-13
0.28
SOTA
DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra arXiv:2502.09571
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Accuracy· uses extra data· 2025-02-13
4.25
SOTA
DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra arXiv:2502.09571
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Tanimoto· uses extra data· 2025-02-13
0.39
SOTA
DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra arXiv:2502.09571
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 MCES· uses extra data· 2025-02-13
18.45
best: 79.39 (SMILES Transformer)
DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra arXiv:2502.09571
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 MCES· uses extra data· 2025-02-13
14.73
best: 52.13 (SMILES Transformer)
DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra arXiv:2502.09571