MOSES
Molecular Sets — distribution learning benchmark with 8 reference metrics on ZINC subset.
Composite score: 72.4
Rubric (1–5 per criterion)
rigor
4/5
coverage
3/5
maintenance
2/5
adoption
5/5
quality
3/5
accessibility
5/5
industry_relevance
3/5
Metadata
Stages
Lead ID / ADMETDevelopmental Candidate
Modalities
small-molecule
Task types
molecule-generation
License
MIT
First release
2018-11
Last updated
2022-04
Flags
none
Size & scope
- train_set: 1936962
- metrics: 8
Primary paper
Title
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Authors
Polykovskiy D, Zhebrak A, Sanchez-Lengeling B, et al.
Year
2020
DOI / arXiv
Citations
550
Links
- Official site: https://github.com/molecularsets/moses
- GitHub: https://github.com/molecularsets/moses
- Leaderboard: N/A
Hosted by (initiatives)
Experts (primary authors / maintainers)
Groups (host labs / companies / consortia)
Related benchmarks
Notes (honest caveats)
Distribution-learning metrics known to saturate.