Tasks SotA Datasets Papers Methods Submit About

Papers With Code 2

A community resource for machine learning research: papers, code, benchmarks, and state-of-the-art results.

Explore

Notable Benchmarks All SotA Datasets Papers Methods

Community

Submit Results About

Data sourced from the PWC Archive (CC-BY-SA 4.0). Built by the community, for the community.

Models/SELFIES Transformer

SELFIES Transformer

Reported on 12 benchmarks across 2 tasks · 1 paper · 2 SOTA

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

Miscellaneous12 results

De novo molecule generation from MS/MS spectrumonMassSpecGym
Top-1 Tanimoto· 2024-10-30
0.1
SOTA
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Tanimoto· 2024-10-30
0.13
best: 0.39 (DiffMS)
SOTA
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrumonMassSpecGym
Top-1 MCES· 2024-10-30
33.28
best: 53.8 (SMILES Transformer)
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrumonMassSpecGym
Top-10 MCES· 2024-10-30
21.84
best: 25.72 (Random chemical generation)
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrumonMassSpecGym
Top-10 Tanimoto· 2024-10-30
0.15
best: 0.17 (SMILES Transformer)
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 MCES· 2024-10-30
38.88
best: 79.39 (SMILES Transformer)
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 Tanimoto· 2024-10-30
0.08
best: 0.28 (DiffMS)
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 MCES· 2024-10-30
26.87
best: 52.13 (SMILES Transformer)
MassSpecGym: A benchmark for the discovery and identification of molecules arXiv:2410.23326
De novo molecule generation from MS/MS spectrumonMassSpecGym
Top-1 Accuracy
0
De novo molecule generation from MS/MS spectrumonMassSpecGym
Top-10 Accuracy
0
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-1 Accuracy
0
best: 2.3 (DiffMS)
De novo molecule generation from MS/MS spectrum (bonus chemical formulae)onMassSpecGym
Top-10 Accuracy
0
best: 4.25 (DiffMS)