feat(data): add MacrolactoneDB data directory with ml_id column

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- Add MacrolactoneDB filtered datasets
- Add ring12_20 and ring16 subdirectories with processed data
- Add ml_id column as unique identifier (ML00000001 format)

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

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lingyuzeng

2026-03-19 11:43:45 +08:00

parent 13dd336e37

commit 360cbc487e

10 changed files with 308289 additions and 0 deletions

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data/MacrolactoneDB/ring16/temp.csv Normal file

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data/MacrolactoneDB/ring16/temp.sdf Normal file

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