Datasets › QM7
QM7
QM7 dataset is a subset of the GDB-13 database. GDB-13 contains nearly 1 billion stable and synthetically accessible organic molecules. In the QM7 subset, only molecules with up to 23 atoms are included. These atoms consist of carbon ©, nitrogen (N), oxygen (O), and sulfur (S). The total number of molecules in the QM7 dataset is 7165. Each molecule is represented using the Coulomb matrix, which captures the interactions between atoms.
Benchmarks archive 2025-07-28
All 1 leaderboard whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| Molecular Property Prediction | QM7 | Uni-Mol MAE 41.8 | Uni-Mol: A Universal 3D Molecular Representation... | dptech-corp/Uni-Mol | 8 | Compare |
Papers archive 2025-07-28
6 shown of 6 papers with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 24. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
| Date | Samples run Syntology | |||
|---|---|---|---|---|
| Uni-Mol: A Universal 3D Molecular Representation Learning Framework | 1 | 1 | 8 Sep 2022 | not harvested |
| ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | 0 | 1 | 11 Jun 2021 | not harvested |
| Self-Supervised Graph Transformer on Large-Scale Molecular Data | 3 | 2 | 18 Jun 2020 | not harvested |
| Strategies for Pre-training Graph Neural Networks | 11 | 1 | 29 May 2019 | ran 10 of 14 samples (4 unverified; 2 pointer-only for licence) |
| Analyzing Learned Molecular Representations for Property Prediction | 4 | 1 | 2 Apr 2019 | ran 3 of 15 samples (12 unverified) |
| N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | 1 | 2 | 24 Jun 2018 | ran 0 of 14 samples (14 unverified) |
Dataset loaders archive 2025-07-28
No loader listed in the archive.
Tasks archive 2025-07-28
License archive 2025-07-28
No licence recorded in the archive. Absence here is not a statement about the dataset's terms.
Modalities archive 2025-07-28
No modality tagged.
Languages archive 2025-07-28
No language tagged.
Variants archive 2025-07-28
- QM7
1 variant name, as the archive lists them.
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