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.
Variants: QM7
This dataset is used in 1 benchmark:
| Task | Model | Paper | Date |
|---|---|---|---|
| Molecular Property Prediction | ChemRL-GEM | ChemRL-GEM: Geometry Enhanced Molecular Representation … | 2021-06-11 |
| Molecular Property Prediction | GROVER (large) | Self-Supervised Graph Transformer on Large-Scale … | 2020-06-18 |
| Molecular Property Prediction | GROVER (base) | Self-Supervised Graph Transformer on Large-Scale … | 2020-06-18 |
| Molecular Property Prediction | PretrainGNN | Strategies for Pre-training Graph Neural … | 2019-05-29 |
| Molecular Property Prediction | D-MPNN | Analyzing Learned Molecular Representations for … | 2019-04-02 |
| Molecular Property Prediction | N-GramRF | N-Gram Graph: Simple Unsupervised Representation … | 2018-06-24 |
| Molecular Property Prediction | N-GramXGB | N-Gram Graph: Simple Unsupervised Representation … | 2018-06-24 |
Recent papers with results on this dataset: