Molecular prediction

Benchmarks

Dataset Name	SOTA Method	Metric
HIV (test)	SUPThard	ROC AUC79.42	46	16d ago
BCNB-PR	MambaMIL+	AUC83.2	42	3mo ago
BCNB-ER	MambaMIL+	AUC89.8	42	3mo ago
BRCA-TP53	MambaMIL+	AUC (%)84.6	42	3mo ago
BRCA-Molecular	MambaMIL+	AUC78.7	42	3mo ago
BACE full-shot (test)	SUPTsoft	ROC-AUC85.27	25	16d ago
HIV full-shot (test)	SUPThard	ROC-AUC79.42	25	16d ago
MUV full-shot (test)	SUPTsoft	ROC-AUC0.8467	25	16d ago
ClinTox full-shot (test)	SUPTsoft	ROC-AUC77.36	25	16d ago
SIDER full-shot (test)	SUPThard	ROC-AUC68.82	25	16d ago
ToxCast full-shot (test)	SUPTsoft	ROC-AUC68.5	25	16d ago
Tox21 full-shot (test)	SUPTsoft	ROC-AUC80.9	25	16d ago
BBBP full-shot (test)	SUPThard	ROC-AUC70.18	25	16d ago
BACE 100-shot (test)	GPF-plus	ROC-AUC0.6176	15	3mo ago
HIV 100-shot (test)	GPF	ROC AUC0.6979	15	3mo ago
MUV 100-shot (test)	GPF-plus	ROC-AUC0.67	15	3mo ago
ClinTox 100-shot (test)	GPF	ROC-AUC65.02	15	3mo ago
SIDER 100-shot (test)		ROC-AUC0.561	15	3mo ago
ToxCast 100-shot (test)	GPF-plus	ROC-AUC0.5942	15	3mo ago
Tox21 100-shot (test)	GPF-plus	ROC-AUC0.6489	15	3mo ago
BBBP 100-shot (test)	GPF-plus	ROC-AUC56.97	15	3mo ago
Patho-Bench Molecular 1.0 (test)	Atlas 2	TP53 Mutation AUC (BRCA)83.6	5	3mo ago

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