# Molecular Property Prediction Summary Across Public Datasets

Source: [Molecular Property Prediction Summary Across Public Datasets](<https://www.sota2.com/research/sota/molecular-property-prediction-summary-across-public-datasets>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2026-02-26T05:39:59.217Z

A meta-evaluation summarizing the relative performance comparison of models across a collection of public molecular property prediction datasets, often focusing on comparative results against a baseline model (like D-MPNN).

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

| Scope | Recorded value |
| --- | --- |
| Task | Molecular Property Prediction |
| Dataset (including any stated split) | Public Molecular Datasets Summary (multiple) |
| Metric | Count: D-MPNN Better |
| Unit | SCALAR |
| Direction | Higher is better |
| Results loaded | 6 of 6 |
| Coverage | All results currently returned for this benchmark |

Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol.

## Metrics

- [Count: D-MPNN Better](<https://www.sota2.com/research/sota/molecular-property-prediction-summary-across-public-datasets.md?metric=Count%3A%20D-MPNN%20Better>): Higher is better; unit: SCALAR.

- [Count: D-MPNN Same](<https://www.sota2.com/research/sota/molecular-property-prediction-summary-across-public-datasets.md?metric=Count%3A%20D-MPNN%20Same>): Higher is better; unit: SCALAR.

- [Count: D-MPNN Worse](<https://www.sota2.com/research/sota/molecular-property-prediction-summary-across-public-datasets.md?metric=Count%3A%20D-MPNN%20Worse>): Lower is better; unit: SCALAR.

- [Total Datasets](<https://www.sota2.com/research/sota/molecular-property-prediction-summary-across-public-datasets.md?metric=Total%20Datasets>): Higher is better; unit: SCALAR.

## Recorded results

| Method | Count: D-MPNN Better | Result date | Report paper |
| --- | --- | --- | --- |
| D-MPNN | 15 | Not recorded | 68fa66ad1e209131cea11a38 |
| D-MPNN | 14 | Not recorded | 68fa66ad1e209131cea11a38 |
| D-MPNN | 9 | Not recorded | 68fa66ad1e209131cea11a38 |
| D-MPNN | 8 | Not recorded | 68fa66ad1e209131cea11a38 |
| D-MPNN | 8 | Not recorded | 68fa66ad1e209131cea11a38 |
| D-MPNN | 5 | Not recorded | 68fa66ad1e209131cea11a38 |

### D-MPNN

Count: D-MPNN Better: 15. Result ID: 698d005d8b517eb4331e47d5.

[Reporting paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Implementation](<https://github.com/swansonk14/chemprop>)

Recorded evaluation configuration: {"Baseline":"FFN on Morgan Counts"}. This record does not assert independent reproduction.

### D-MPNN

Count: D-MPNN Better: 14. Result ID: 698d005d8b517eb4331e47d4.

[Reporting paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Implementation](<https://github.com/swansonk14/chemprop>)

Recorded evaluation configuration: {"Baseline":"FFN on Morgan"}. This record does not assert independent reproduction.

### D-MPNN

Count: D-MPNN Better: 9. Result ID: 698d005d8b517eb4331e47d3.

[Reporting paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Implementation](<https://github.com/swansonk14/chemprop>)

Recorded evaluation configuration: {"Baseline":"RF on Morgan"}. This record does not assert independent reproduction.

### D-MPNN

Count: D-MPNN Better: 8. Result ID: 698d005d8b517eb4331e47d2.

[Reporting paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Implementation](<https://github.com/swansonk14/chemprop>)

Recorded evaluation configuration: {"Baseline":"Mayr et al."}. This record does not assert independent reproduction.

### D-MPNN

Count: D-MPNN Better: 8. Result ID: 698d005d8b517eb4331e47d6.

[Reporting paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Implementation](<https://github.com/swansonk14/chemprop>)

Recorded evaluation configuration: {"Baseline":"FFN on RDKit"}. This record does not assert independent reproduction.

### D-MPNN

Count: D-MPNN Better: 5. Result ID: 698d005d8b517eb4331e47d1.

[Reporting paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66ad1e209131cea11a38.md>)

[Implementation](<https://github.com/swansonk14/chemprop>)

Recorded evaluation configuration: {"Baseline":"MoleculeNet"}. This record does not assert independent reproduction.

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