GitHub - BUPT-GAMMA/Advancing-Molecule-Invariant-Representation-via-Privileged-Substructure-Identification: Source code for KDD 2024 paper "Advancing Molecule Invariant Representation via Privileged Substructure Identification"

Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
DrugOOD		DrugOOD
OGB		OGB
preprocess		preprocess
BACE_ablation.pdf		BACE_ablation.pdf
BACE_class_ratio.pdf		BACE_class_ratio.pdf
BACE_inv_risk.pdf		BACE_inv_risk.pdf
BACE_inv_risk_rebuttal.pdf		BACE_inv_risk_rebuttal.pdf
BACE_iter.pdf		BACE_iter.pdf
BACE_lambda.pdf		BACE_lambda.pdf
BACE_layers.pdf		BACE_layers.pdf
BACE_risk.pdf		BACE_risk.pdf
BBBP_ablation.pdf		BBBP_ablation.pdf
MILI_1.png		MILI_1.png
MILI_2.png		MILI_2.png
MILI_3.png		MILI_3.png
inv_risk_AUC.pdf		inv_risk_AUC.pdf
plot_ablation.py		plot_ablation.py
plot_class_ratio.py		plot_class_ratio.py
plot_inv_risk.py		plot_inv_risk.py
plot_inv_risk_auc.py		plot_inv_risk_auc.py
plot_iter.py		plot_iter.py
plot_layers.py		plot_layers.py
visualization.py		visualization.py