Datasets¶
(You can write manual introductory notes here. The AI will not overwrite them.)
Named datasets and benchmark data resources.
Last updated: 2026-07-21
Contents¶
| Page | Summary | Tags | Updated |
|---|---|---|---|
| LIPID MAPS Proteome Database (LMPD) | A database connecting lipid-associated proteins and genes to annotations, enzymes, pathways, species, and lipid classes. | dataset, lipidomics, proteomics, gene, pathway | 2026-07-21 |
| LIPID MAPS Structure Database (LMSD) | An expert-curated database of biologically relevant lipid structures, standardized names, identifiers, provenance, and biochemical context. | dataset, lipidomics, cheminformatics, mass-spectrometry | 2026-07-21 |
| MassSpecGym | A benchmark suite for evaluating machine learning models on molecular discovery and structure elucidation tasks in mass spectrometry. | dataset, mass-spectrometry, machine-learning, benchmark | 2026-07-19 |
| NIST2023 LC-MS/MS Dataset | The 2023 release of the NIST/EPA/NIH Mass Spectral Library containing tandem mass spectra. | stub, dataset, mass-spectrometry, library | 2026-07-19 |
| NPLIB1 | A natural product mass spectral library used for evaluating small-molecule structure elucidation models. | stub, dataset, mass-spectrometry, natural-products | 2026-07-19 |
Categories¶
- dataset: lipid-maps-proteome-database-lmpd.md, lipid-maps-structure-database-lmsd.md, massspecgym.md, nist2023-lc-ms-ms-dataset.md, nplib1.md
Recent Changes¶
- 2026-07-21: Added LIPID MAPS Structure Database (LMSD) and LIPID MAPS Proteome Database (LMPD)
- 2026-07-19: Updated MassSpecGym to the latest wiki specification
- 2026-07-19: Updated NIST2023 LC-MS/MS Dataset to the latest wiki specification
- 2026-07-19: Updated NPLIB1 to the latest wiki specification