roman-bushuiev/MassSpecGym
MassSpecGym provides a dataset and benchmark for the discovery and identification of new molecules from tandem mass spectrometry (MS/MS) spectra. The provided challenges abstract the process of scientific discovery of new molecules from biological and environmental samples into well-defined machine learning problems. Papers MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery (2025): Paper Link MassSpecGym: A benchmark for… See the full description on the dataset page: https://huggingface.co/datasets/roman-bushuiev/MassSpecGym.
| Author / organization | roman-bushuiev |
|---|---|
| License (as declared) | mit |
| Downloads | 8.4K (as reported by Hugging Face) |
| Likes | 26 |
| Created | 12 June 2024 |
| Last updated at source | 7 August 2026 |
Popularity, last 4 days
8,438 now (+1,193 since 2026-10-16). Counts as reported by the source, snapshotted daily by Silytics.
Connected in the knowledge graph
- MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule DiscoveryPaper · cites
- AethronPhantom/NexaMass-V3-StructModel · used to train
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