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rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; 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-- 15,557 initCoords.random.sdf
- - rw-r--r-- 7,374 initCoords.sdf
- - rw-r--r-- 1,067 simple_torsion.dg.mol
- - rw-r--r-- 1,067 simple_torsion.etdg.mol
- - rw-r--r-- 1,067 simple_torsion.etkdg.mol
- - rw-r--r-- 1,067 simple_torsion.kdg.mol
- - rw-r--r-- 1,483 torsion.etkdg.v2.mol