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rdkit 202209.3-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 203,880 kB
  • sloc: cpp: 334,239; python: 80,247; ansic: 24,579; java: 7,667; sql: 2,123; yacc: 1,884; javascript: 1,358; lex: 1,260; makefile: 576; xml: 229; fortran: 183; cs: 181; sh: 101

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
- - rw-r--r-- 102,587 test1.sdf