HyperAI

Molecular Property Prediction On Bbbp 1

Metrics

ROC-AUC

Results

Performance results of various models on this benchmark

Comparison Table
Model NameROC-AUC
grover-self-supervised-message-passing69.5
uni-mol-a-universal-3d-molecular72.9
galactica-a-large-language-model-for-science-153.5
accurate-admet-prediction-with-xgboost90.5
pushing-the-boundaries-of-molecular-property89.2
integrating-convolutional-layers-and-biformer75.8
therapeutics-data-commons-machine-learning85.5
galactica-a-large-language-model-for-science-139.3
n-gram-graph-a-novel-molecule-representation69.1
chemberta-2-towards-chemical-foundation72.8
galactica-a-large-language-model-for-science-166.1
chemrl-gem-geometry-enhanced-molecular72.4
molecular-structure-property-co-trained73.3
pre-training-graph-neural-networks68.7
self-guided-masked-autoencoders-for-domain75.0
n-gram-graph-a-novel-molecule-representation69.7
therapeutics-data-commons-machine-learning89.2
grover-self-supervised-message-passing70.0
selformer-molecular-representation-learning90.2
pre-training-graph-neural-networks-on88.75±0.49
are-learned-molecular-representations-ready71.0
dumpling-gnn-hybrid-gnn-enables-better-adc96.4
a-bayesian-flow-network-framework-for95.74
molxpt-wrapping-molecules-with-text-for80.5 ± 0.5
pushing-the-boundaries-of-molecular-property89.6
galactica-a-large-language-model-for-science-172.9
galactica-a-large-language-model-for-science-159.6
galactica-a-large-language-model-for-science-160.4
pushing-the-boundaries-of-molecular-property93.0