# Molecular Prediction on MUV full-shot (test) Source: [Molecular Prediction on MUV full-shot (test)]() Collection index: [llms.txt]() Data updated: 2026-05-18T06:27:30.165Z Evaluation of model performance on the full-shot test split of the MUV dataset for molecular prediction tasks, 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) | MUV full-shot (test) | | Metric | ROC-AUC | | Unit | SCALAR | | 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: SCALAR. ## Recorded results | Method | ROC-AUC | Result date | Report paper | | --- | --- | --- | --- | | SUPTsoft | 0.8467 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 0.8454 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 0.844 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 0.8422 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 0.8295 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 0.8294 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 0.8274 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 0.8261 | Not recorded | 68fa72361e209131cea54f7c | | FT | 0.8236 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 0.8193 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 0.8181 | Not recorded | 68fa72361e209131cea54f7c | | FT | 0.8178 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 0.8159 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 0.8151 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 0.8144 | Not recorded | 68fa72361e209131cea54f7c | | FT | 0.8142 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 0.8127 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 0.8039 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 0.7994 | Not recorded | 68fa72361e209131cea54f7c | | FT | 0.7967 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 0.7092 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 0.7081 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 0.7064 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 0.7054 | Not recorded | 68fa72361e209131cea54f7c | | FT | 0.6978 | Not recorded | 68fa72361e209131cea54f7c | ### SUPTsoft ROC-AUC: 0.8467. Result ID: 6a0ab07e47f34ce924f0170f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 0.8454. Result ID: 6a0ab07e47f34ce924f0170e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 0.844. Result ID: 6a0ab07e47f34ce924f0170d. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 0.8422. Result ID: 6a0ab07e47f34ce924f0170c. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 0.8295. Result ID: 6a0ab07f47f34ce924f01719. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 0.8294. Result ID: 6a0ab07f47f34ce924f01718. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 0.8274. Result ID: 6a0ab07e47f34ce924f01717. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 0.8261. Result ID: 6a0ab07e47f34ce924f01716. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### FT ROC-AUC: 0.8236. Result ID: 6a0ab07e47f34ce924f0170b. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 0.8193. Result ID: 6a0ab07e47f34ce924f0170a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 0.8181. Result ID: 6a0ab07e47f34ce924f01709. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### FT ROC-AUC: 0.8178. Result ID: 6a0ab07e47f34ce924f01706. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 0.8159. Result ID: 6a0ab07e47f34ce924f01705. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 0.8151. Result ID: 6a0ab07e47f34ce924f01704. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 0.8144. Result ID: 6a0ab07e47f34ce924f01707. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### FT ROC-AUC: 0.8142. Result ID: 6a0ab07e47f34ce924f01701. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 0.8127. Result ID: 6a0ab07e47f34ce924f01708. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 0.8039. Result ID: 6a0ab07e47f34ce924f01702. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 0.7994. Result ID: 6a0ab07e47f34ce924f01703. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### FT ROC-AUC: 0.7967. Result ID: 6a0ab07e47f34ce924f01715. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 0.7092. Result ID: 6a0ab07e47f34ce924f01714. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 0.7081. Result ID: 6a0ab07e47f34ce924f01711. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 0.7064. Result ID: 6a0ab07e47f34ce924f01713. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 0.7054. Result ID: 6a0ab07e47f34ce924f01712. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### FT ROC-AUC: 0.6978. Result ID: 6a0ab07e47f34ce924f01710. [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.