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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-- 1,204 Issue3238580.1.mol
- - rw-r--r-- 1,486 Issue3238580.2.mol
- - rw-r--r-- 1,486 Issue3238580.3.mol
- - rw-r--r-- 3,431 Issue3483968.mol
- - rw-r--r-- 9,029 cis_trans_cases.csv
- - rw-r--r-- 208,327 combi_coords.sdf
- - rw-r--r-- 2,087 constrain1.sdf
- - rw-r--r-- 225,825 embedDistOpti.sdf
- - rw-r--r-- 15,596 initCoords.random.sdf
- - rw-r--r-- 7,374 initCoords.sdf
- - rw-r--r-- 1,067 simple_torsion.dg.mol
- - rw-r--r-- 1,068 simple_torsion.etdg.mol
- - rw-r--r-- 1,066 simple_torsion.etkdg.mol
- - rw-r--r-- 1,066 simple_torsion.kdg.mol
- - rw-r--r-- 2,645 simple_torsion.macrocycle.etkdg.mol
- - rw-r--r-- 2,728 simple_torsion.macrocycle.etkdgv3.mol
- - rw-r--r-- 1,566 simple_torsion.smallring.etkdgv3.mol
- - rw-r--r-- 1,483 torsion.etkdg.v2.mol