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rdkit 202009.4-1
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 129,624 kB
  • sloc: cpp: 288,030; python: 75,571; java: 6,999; ansic: 5,481; sql: 1,968; yacc: 1,842; lex: 1,254; makefile: 572; javascript: 461; xml: 229; fortran: 183; sh: 134; cs: 93

Folder: test_data

d .. (parent)
- - rw-r--r-- 4,703 1XP0_ligand.sdf
- - rw-r--r-- 2,933 7UPJ_default.mol
- - rw-r--r-- 2,933 7UPJ_mimic3D_1.mol
- - rw-r--r-- 2,933 7UPJ_mimic3D_2.mol
- - rw-r--r-- 2,933 7UPJ_spread.mol
- - rw-r--r-- 2,907 7UPJ_xtal.mol
- - rw-r--r-- 9,029 cis_trans_cases.csv
- - rw-r--r-- 217,981 cis_trans_cases.sdf
- - rw-r--r-- 293,864 first_200.python.sdf
- - rw-r--r-- 7,711 first_200.tpsa.csv
- - rw-r--r-- 4,557 hs_crash.mol