3 Commits

Author SHA1 Message Date
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
f6bf9e85a3 chore(validation-output): add gt3 fragment export
Track refreshed validation outputs and add a filtered fragment
library export that retains only side-chain fragments with more
than 3 heavy atoms.
2026-03-19 21:20:56 +08:00
bb42044faf refactor(validation): use ml_id as primary ID, add chembl_id field 2026-03-19 11:44:56 +08:00