# Molecular prediction on BACE full-shot (test) Source: [Molecular prediction on BACE full-shot (test)]() Collection index: [llms.txt]() Data updated: 2026-05-18T06:27:30.242Z Evaluation of molecular prediction performance on the full-shot test split of the BACE 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) | BACE 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 | | --- | --- | --- | --- | | SUPTsoft | 85.27 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 85.22 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 85.21 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 85.03 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 85.01 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 84.98 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 84.77 | Not recorded | 68fa72361e209131cea54f7c | | FT | 84.66 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 84.5 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 84.05 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 84.01 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 83.24 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 82.96 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 81.72 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 81.44 | Not recorded | 68fa72361e209131cea54f7c | | FT | 81.32 | Not recorded | 68fa72361e209131cea54f7c | | FT | 80.94 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 80.91 | Not recorded | 68fa72361e209131cea54f7c | | FT | 80.9 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 79.76 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 79.17 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 78.92 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 77.84 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 76.67 | Not recorded | 68fa72361e209131cea54f7c | | FT | 75.51 | Not recorded | 68fa72361e209131cea54f7c | ### SUPTsoft ROC-AUC: 85.27. Result ID: 6a0ab07f47f34ce924f01741. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 85.22. Result ID: 6a0ab07f47f34ce924f0173c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 85.21. Result ID: 6a0ab07f47f34ce924f01740. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 85.03. Result ID: 6a0ab07f47f34ce924f0173e. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 85.01. Result ID: 6a0ab07f47f34ce924f0173a. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 84.98. Result ID: 6a0ab07f47f34ce924f0173b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 84.77. Result ID: 6a0ab07f47f34ce924f01739. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### FT ROC-AUC: 84.66. Result ID: 6a0ab07f47f34ce924f0173d. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 84.5. Result ID: 6a0ab07f47f34ce924f0173f. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 84.05. Result ID: 6a0ab07f47f34ce924f01736. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 84.01. Result ID: 6a0ab07f47f34ce924f01737. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 83.24. Result ID: 6a0ab07f47f34ce924f01734. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 82.96. Result ID: 6a0ab07f47f34ce924f01735. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 81.72. Result ID: 6a0ab07f47f34ce924f0174a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 81.44. Result ID: 6a0ab07f47f34ce924f0174b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### FT ROC-AUC: 81.32. Result ID: 6a0ab07f47f34ce924f01733. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### FT ROC-AUC: 80.94. Result ID: 6a0ab07f47f34ce924f01738. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 80.91. Result ID: 6a0ab07f47f34ce924f01749. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### FT ROC-AUC: 80.9. Result ID: 6a0ab07f47f34ce924f01747. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 79.76. Result ID: 6a0ab07f47f34ce924f01748. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 79.17. Result ID: 6a0ab07f47f34ce924f01745. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 78.92. Result ID: 6a0ab07f47f34ce924f01746. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 77.84. Result ID: 6a0ab07f47f34ce924f01744. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 76.67. Result ID: 6a0ab07f47f34ce924f01743. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### FT ROC-AUC: 75.51. Result ID: 6a0ab07f47f34ce924f01742. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.