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