聚类方法,聚类后选择打分最高那个分子,并对 karamadock 的结果求交集

Browse Source

...

This commit is contained in:

lingyuzeng

2025-08-18 15:50:12 +08:00

parent b85b02b5c3

commit 7ee5b18b99

12 changed files with 18046 additions and 4 deletions

Show all changes Ignore whitespace when comparing lines Ignore changes in amount of whitespace Ignore changes in whitespace at EOL

Download Patch File Download Diff File Expand all files Collapse all files

1001

result/top_molecules/fgbar_karma_score_aligned_top1000.csv Normal file

File diff suppressed because it is too large Load Diff

1001

result/top_molecules/fgbar_vina_score_top1000.csv Normal file

File diff suppressed because it is too large Load Diff

1001

result/top_molecules/trpe_karma_score_aligned_top1000.csv Normal file

File diff suppressed because it is too large Load Diff

1001

result/top_molecules/trpe_vina_score_top1000.csv Normal file

File diff suppressed because it is too large Load Diff