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Models/Madgen

Madgen

Reported on 6 benchmarks across 1 task · 1 paper · 3 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· 2025-01-03
1.31
best: 2.3 (DiffMS)
SOTA
MADGEN: Mass-Spec attends to De Novo Molecular generation arXiv:2501.01950
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 Tanimoto· 2025-01-03
0.2
best: 0.28 (DiffMS)
SOTA
MADGEN: Mass-Spec attends to De Novo Molecular generation arXiv:2501.01950
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Accuracy· 2025-01-03
1.54
best: 4.25 (DiffMS)
SOTA
MADGEN: Mass-Spec attends to De Novo Molecular generation arXiv:2501.01950
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 MCES· 2025-01-03
27.47
best: 79.39 (SMILES Transformer)
MADGEN: Mass-Spec attends to De Novo Molecular generation arXiv:2501.01950
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 MCES· 2025-01-03
16.84
best: 52.13 (SMILES Transformer)
MADGEN: Mass-Spec attends to De Novo Molecular generation arXiv:2501.01950
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Tanimoto· 2025-01-03
0.26
best: 0.39 (DiffMS)
MADGEN: Mass-Spec attends to De Novo Molecular generation arXiv:2501.01950