macrolactone-toolkit/validation_output/fragment_library_analysis/ring16_medchem_hotspot_comparison.csv at 8478abbbaad5f36cdcbb8a636c0eeb846efa6b61

Files

lingyuzeng 8071a141ee feat(validation): archive key result assets

Keep key validation outputs and analysis tables tracked directly,
package analysis plot PNGs into a small tar.gz backup, and add
analysis scripts plus tests so the stored results remain
reproducible without flooding git with large image trees.

2026-03-19 21:34:27 +08:00

877 B

Raw Blame History

1	cleavage_position	total_fragments_all	unique_fragments_all	mean_atom_count_all	total_fragments_gt3	unique_fragments_gt3	mean_atom_count_gt3	gt3_row_fraction	gt3_unique_fraction	normalized_shannon_entropy_all	mean_pairwise_tanimoto_distance_all	normalized_shannon_entropy_gt3	mean_pairwise_tanimoto_distance_gt3
2	6	536	68	2.9402985074626864	89	60	12.584269662921349	0.166044776119403	0.8823529411764706	0.30950388972503856	0.8133239394372517	0.9731262721536741	0.7800916405422387
3	7	23	4	2.5652173913043477	4	1	10.0	0.17391304347826086	0.25	0.8567985762221871	0.86	0.0	0.0
4	15	747	13	2.0174029451137887	205	8	4.692682926829268	0.2744310575635877	0.6153846153846154	0.3487511597393803	0.8168500968741627	0.45555578681139725	0.7692219308030589
5	16	135	8	1.9851851851851852	5	5	8.4	0.037037037037037035	0.625	0.4148320683071004	0.9006253315127155	1.0000000000000002	0.8910101403362273

877 B Raw Blame History

877 B

Raw Blame History