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Hello, how is the “High Affinity” metric calculated in your paper? I haven't seen the corresponding code.

Status: Open.

#10 In CMACH508/KGDiff;

· DWF09 opened on Mar 2, 2026

Evaluate_diffusion Error

Status: Open.

#9 In CMACH508/KGDiff;

· DannyJPark opened on Jul 15, 2025

about notebook

Status: Open.

#8 In CMACH508/KGDiff;

· xzliu6 opened on Jul 11, 2025

generating new molecules using custom pocket

Status: Open.

#7 In CMACH508/KGDiff;

· liang2508 opened on Jan 5, 2025

采样后无法得到有效的分子

Status: Open.

#6 In CMACH508/KGDiff;

· IXintifox opened on Nov 10, 2024

affinity_info_complete.pkl 中的vina值

Status: Open.

#5 In CMACH508/KGDiff;

· xxrelax opened on Nov 8, 2024

evaluation failed

Status: Open.

#4 In CMACH508/KGDiff;

· cuicanyu opened on Aug 12, 2024

About KG-TargetDiff.

Status: Open.

#3 In CMACH508/KGDiff;

· xzliu6 opened on Jul 30, 2024

训练时间

Status: Open.

#2 In CMACH508/KGDiff;

· AmingWu opened on Apr 18, 2024

runing: python scripts/sample_diffusion.py , got an error

Status: Open.

#1 In CMACH508/KGDiff;

· FeilongWuHaa opened on Jan 3, 2024