# Molecular Prediction on BBBP full-shot (test) Source: [Molecular Prediction on BBBP full-shot (test)]() Collection index: [llms.txt]() Data updated: 2026-05-18T06:27:29.963Z Evaluation of model performance on predicting molecular properties using the full-shot setting on the test split of the BBBP dataset, typically measured using ROC-AUC. 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 prediction | | Dataset (including any stated split) | BBBP full-shot (test) | | Metric | ROC-AUC | | Unit | PERCENT | | Direction | Higher is better | | Results loaded | 25 of 25 | | 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 - [ROC-AUC](): Higher is better; unit: PERCENT. ## Recorded results | Method | ROC-AUC | Result date | Report paper | | --- | --- | --- | --- | | SUPThard | 70.18 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 70.06 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 69.93 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 69.79 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 69.68 | Not recorded | 68fa72361e209131cea54f7c | | FT | 69.65 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 69.51 | Not recorded | 68fa72361e209131cea54f7c | | FT | 69.49 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 69.36 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 69.31 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 69.04 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 68.59 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 68.39 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 68.37 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 68.11 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 67.77 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 67.63 | Not recorded | 68fa72361e209131cea54f7c | | FT | 67.55 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 67.49 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 67.32 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 67.29 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 67.03 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 66.58 | Not recorded | 68fa72361e209131cea54f7c | | FT | 66.56 | Not recorded | 68fa72361e209131cea54f7c | | FT | 66.33 | Not recorded | 68fa72361e209131cea54f7c | ### SUPThard ROC-AUC: 70.18. Result ID: 6a0ab07e47f34ce924f01691. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 70.06. Result ID: 6a0ab07e47f34ce924f01692. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 69.93. Result ID: 6a0ab07e47f34ce924f0169c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 69.79. Result ID: 6a0ab07e47f34ce924f01697. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 69.68. Result ID: 6a0ab07e47f34ce924f01696. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### FT ROC-AUC: 69.65. Result ID: 6a0ab07e47f34ce924f0168e. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 69.51. Result ID: 6a0ab07e47f34ce924f0169b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### FT ROC-AUC: 69.49. Result ID: 6a0ab07e47f34ce924f01693. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 69.36. Result ID: 6a0ab07e47f34ce924f01699. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 69.31. Result ID: 6a0ab07e47f34ce924f0169a. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 69.04. Result ID: 6a0ab07e47f34ce924f0168f. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 68.59. Result ID: 6a0ab07e47f34ce924f01690. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 68.39. Result ID: 6a0ab07e47f34ce924f0168c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 68.37. Result ID: 6a0ab07e47f34ce924f0168d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 68.11. Result ID: 6a0ab07e47f34ce924f01694. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 67.77. Result ID: 6a0ab07e47f34ce924f01695. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 67.63. Result ID: 6a0ab07e47f34ce924f01688. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### FT ROC-AUC: 67.55. Result ID: 6a0ab07e47f34ce924f01684. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 67.49. Result ID: 6a0ab07e47f34ce924f0168a. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 67.32. Result ID: 6a0ab07e47f34ce924f0168b. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 67.29. Result ID: 6a0ab07e47f34ce924f01687. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 67.03. Result ID: 6a0ab07e47f34ce924f01686. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 66.58. Result ID: 6a0ab07e47f34ce924f01685. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### FT ROC-AUC: 66.56. Result ID: 6a0ab07e47f34ce924f01698. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### FT ROC-AUC: 66.33. Result ID: 6a0ab07e47f34ce924f01689. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.