# Molecular Property Prediction on MIT AICURES (test)

Source: [Molecular Property Prediction on MIT AICURES (test)](<https://www.sota2.com/research/sota/molecular-property-prediction-on-mit-aicures-test>)

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

Data updated: 2026-02-26T05:25:38.256Z

Evaluation of model performance on predicting molecular properties using the test split of the MIT AICURES dataset.

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) | MIT AICURES (test) |
| Metric | AUPRC |
| Unit | PERCENT |
| Direction | Higher is better |
| Results loaded | 18 of 18 |
| 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

- [AUPRC](<https://www.sota2.com/research/sota/molecular-property-prediction-on-mit-aicures-test.md?metric=AUPRC>): Higher is better; unit: PERCENT.

## Recorded results

| Method | AUPRC | Result date | Report paper |
| --- | --- | --- | --- |
| SOAP | 66.39 | Not recorded | 68fa5a451e209131ce9be85b |
| SOAP | 65.47 | Not recorded | 68fa5a451e209131ce9be85b |
| LDAM | 64.89 | Not recorded | 68fa5a451e209131ce9be85b |
| CB-CE | 63.08 | Not recorded | 68fa5a451e209131ce9be85b |
| CE | 62.82 | Not recorded | 68fa5a451e209131ce9be85b |
| Focal | 58.75 | Not recorded | 68fa5a451e209131ce9be85b |
| MinMax | 57.74 | Not recorded | 68fa5a451e209131ce9be85b |
| CB-CE | 56.55 | Not recorded | 68fa5a451e209131ce9be85b |
| AUC-M | 55.42 | Not recorded | 68fa5a451e209131ce9be85b |
| MinMax | 52.92 | Not recorded | 68fa5a451e209131ce9be85b |
| LDAM | 52.36 | Not recorded | 68fa5a451e209131ce9be85b |
| AUC-M | 51.49 | Not recorded | 68fa5a451e209131ce9be85b |
| Focal | 51.43 | Not recorded | 68fa5a451e209131ce9be85b |
| CE | 50.37 | Not recorded | 68fa5a451e209131ce9be85b |
| FastAP | 47.77 | Not recorded | 68fa5a451e209131ce9be85b |
| FastAP | 45.18 | Not recorded | 68fa5a451e209131ce9be85b |
| SmoothAP | 40.81 | Not recorded | 68fa5a451e209131ce9be85b |
| SmoothAP | 28.99 | Not recorded | 68fa5a451e209131ce9be85b |

### SOAP

AUPRC: 66.39. Result ID: 698bac317a967eddb7707cd3.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Implementation](<https://github.com/Optimization-AI>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### SOAP

AUPRC: 65.47. Result ID: 698bac317a967eddb7707cd4.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Implementation](<https://github.com/Optimization-AI>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### LDAM

AUPRC: 64.89. Result ID: 698bac317a967eddb7707cca.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66901e209131cea10e0f.md>)

[Implementation](<https://github.com/kaidic/LDAM-DRW>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### CB-CE

AUPRC: 63.08. Result ID: 698bac317a967eddb7707cc6.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa58711e209131ce9ae201.md>)

[Implementation](<https://github.com/Optimization-AI/LibAUC>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### CE

AUPRC: 62.82. Result ID: 698bac317a967eddb7707cc4.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### Focal

AUPRC: 58.75. Result ID: 698bac317a967eddb7707cc8.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa640c1e209131cea02556.md>)

[Implementation](<https://github.com/facebookresearch/Detectron>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### MinMax

AUPRC: 57.74. Result ID: 698bac317a967eddb7707cd2.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa63321e209131ce9fd4a1.md>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### CB-CE

AUPRC: 56.55. Result ID: 698bac317a967eddb7707cc5.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa58711e209131ce9ae201.md>)

[Implementation](<https://github.com/Optimization-AI/LibAUC>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### AUC-M

AUPRC: 55.42. Result ID: 698bac317a967eddb7707ccc.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa58711e209131ce9ae201.md>)

[Implementation](<https://github.com/Optimization-AI/LibAUC>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### MinMax

AUPRC: 52.92. Result ID: 698bac317a967eddb7707cd1.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa63321e209131ce9fd4a1.md>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### LDAM

AUPRC: 52.36. Result ID: 698bac317a967eddb7707cc9.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa66901e209131cea10e0f.md>)

[Implementation](<https://github.com/kaidic/LDAM-DRW>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### AUC-M

AUPRC: 51.49. Result ID: 698bac317a967eddb7707ccb.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa58711e209131ce9ae201.md>)

[Implementation](<https://github.com/Optimization-AI/LibAUC>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### Focal

AUPRC: 51.43. Result ID: 698bac317a967eddb7707cc7.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa640c1e209131cea02556.md>)

[Implementation](<https://github.com/facebookresearch/Detectron>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### CE

AUPRC: 50.37. Result ID: 698bac317a967eddb7707cc3.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### FastAP

AUPRC: 47.77. Result ID: 698bac317a967eddb7707ccf.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

### FastAP

AUPRC: 45.18. Result ID: 698bac317a967eddb7707cd0.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### SmoothAP

AUPRC: 40.81. Result ID: 698bac317a967eddb7707cce.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa68491e209131cea1b156.md>)

[Implementation](<https://www.robots.ox.ac.uk/~vgg/research/smooth-ap/>)

Recorded evaluation configuration: {"Network":"MPNN"}. This record does not assert independent reproduction.

### SmoothAP

AUPRC: 28.99. Result ID: 698bac317a967eddb7707ccd.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5a451e209131ce9be85b.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa68491e209131cea1b156.md>)

[Implementation](<https://www.robots.ox.ac.uk/~vgg/research/smooth-ap/>)

Recorded evaluation configuration: {"Network":"GINE"}. This record does not assert independent reproduction.

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