macrolactone-toolkit/validation_output/fragment_library_analysis/fragment_atom_count_frequency.csv at main

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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

2.3 KiB

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1	fragment_atom_count	row_count	unique_fragment_count	row_fraction	unique_fragment_fraction
2	1	23994	10	0.6889086680639697	0.005399568034557235
3	2	4075	16	0.11700020098194033	0.008639308855291577
4	3	481	26	0.013810330471733325	0.014038876889848811
5	4	495	36	0.014212294352407477	0.019438444924406047
6	5	227	53	0.006517557208073732	0.028617710583153346
7	6	81	47	0.002325648166757587	0.025377969762419007
8	7	93	60	0.0026701886359068593	0.032397408207343416
9	8	157	83	0.004507737804702977	0.044816414686825054
10	9	209	80	0.006000746504349824	0.04319654427645788
11	10	334	99	0.009589709724654743	0.05345572354211663
12	11	375	142	0.010766889660914755	0.07667386609071274
13	12	2002	148	0.057480834936403574	0.07991360691144708
14	13	382	100	0.01096787160125183	0.05399568034557235
15	14	504	133	0.014470699704269431	0.07181425485961124
16	15	230	97	0.006603692325361049	0.052375809935205186
17	16	110	79	0.003158287633868328	0.04265658747300216
18	17	122	71	0.0035028281030176005	0.03833693304535637
19	18	128	81	0.003675098337592236	0.04373650107991361
20	19	109	53	0.003129575928105889	0.028617710583153346
21	20	30	26	0.0008613511728731804	0.014038876889848811
22	21	56	48	0.0016078555226966035	0.02591792656587473
23	22	24	21	0.0006890809382985443	0.011339092872570195
24	23	137	42	0.0039335036894541904	0.02267818574514039
25	24	32	29	0.000918774584398059	0.01565874730021598
26	25	26	21	0.000746504349823423	0.011339092872570195
27	26	50	36	0.0014355852881219673	0.019438444924406047
28	27	69	29	0.001981107697608315	0.01565874730021598
29	28	41	23	0.0011771799362600133	0.012419006479481642
30	29	84	34	0.002411783284044905	0.0183585313174946
31	30	30	21	0.0008613511728731804	0.011339092872570195
32	31	18	13	0.0005168107037239083	0.007019438444924406
33	32	33	23	0.0009474862901604985	0.012419006479481642
34	33	14	10	0.0004019638806741509	0.005399568034557235
35	34	11	9	0.0003158287633868328	0.004859611231101512
36	35	14	10	0.0004019638806741509	0.005399568034557235
37	36	8	7	0.00022969364609951476	0.003779697624190065
38	37	8	8	0.00022969364609951476	0.004319654427645789
39	38	8	7	0.00022969364609951476	0.003779697624190065
40	39	14	9	0.0004019638806741509	0.004859611231101512
41	40	2	2	5.742341152487869e-05	0.0010799136069114472
42	41	2	2	5.742341152487869e-05	0.0010799136069114472
43	43	2	2	5.742341152487869e-05	0.0010799136069114472
44	44	2	2	5.742341152487869e-05	0.0010799136069114472
45	45	3	3	8.613511728731804e-05	0.0016198704103671706
46	48	3	1	8.613511728731804e-05	0.0005399568034557236

2.3 KiB Raw Permalink Blame History

2.3 KiB

Raw Permalink Blame History