rdkit-data 201309-1 / usr

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/usr/ is in rdkit-data 201309-1.

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File Mime Type Owner Mode Size
..
/usr/share/RDKit/Contrib/PBF/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/ root:root 0o755
/usr/share/ root:root 0o755
/usr/share/doc/ root:root 0o755
/usr/share/doc/rdkit-data/ root:root 0o755
/usr/share/doc/rdkit-data/changelog.Debian.gz application/gzip root:root 0o644 1.6 KB
/usr/share/doc/rdkit-data/copyright text/plain root:root 0o644 7.4 KB
/usr/share/RDKit/ root:root 0o755
/usr/share/RDKit/Data/ root:root 0o755
/usr/share/RDKit/Data/BaseFeatures.fdef text/plain root:root 0o644 6.6 KB
/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt text/plain root:root 0o644 5.4 KB
/usr/share/RDKit/Data/struchk/ root:root 0o755
/usr/share/RDKit/Data/struchk/checkfgs.trn text/plain root:root 0o644 11.0 KB
/usr/share/RDKit/Data/struchk/checkfgs.opt text/plain root:root 0o644 568 bytes
/usr/share/RDKit/Data/struchk/checkfgs.chk text/plain root:root 0o644 29.1 KB
/usr/share/RDKit/Data/SmartsLib/ root:root 0o755
/usr/share/RDKit/Data/SmartsLib/tests/ root:root 0o755
/usr/share/RDKit/Data/SmartsLib/tests/bench2.py text/x-python root:root 0o644 1.3 KB
/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz application/gzip root:root 0o644 107.3 KB
/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz application/gzip root:root 0o644 12.5 KB
/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt text/plain root:root 0o644 13.9 KB
/usr/share/RDKit/Data/Salts.txt text/plain root:root 0o644 2.6 KB
/usr/share/RDKit/Data/NCI/ root:root 0o755
/usr/share/RDKit/Data/NCI/first_200.props.sdf text/plain root:root 0o644 398.4 KB
/usr/share/RDKit/Data/NCI/first_200.tpsa.csv text/plain root:root 0o644 7.6 KB
/usr/share/RDKit/Data/NCI/first_5K.smi text/plain root:root 0o644 188.1 KB
/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv text/plain root:root 0o644 194.4 KB
/usr/share/RDKit/Data/FunctionalGroups.txt text/plain root:root 0o644 2.4 KB
/usr/share/RDKit/Data/Crippen.txt text/plain root:root 0o644 4.1 KB
/usr/share/RDKit/Data/RDTests.sqlt application/x-sqlite3 root:root 0o644 43.0 KB
/usr/share/RDKit/Data/RDData.sqlt application/x-sqlite3 root:root 0o644 81.0 KB
/usr/share/RDKit/Data/rddata.sql text/plain root:root 0o644 48.9 KB
/usr/share/RDKit/Data/FragmentDescriptors.csv text/plain root:root 0o644 9.7 KB
/usr/share/RDKit/Data/DTDs/ root:root 0o755
/usr/share/RDKit/Data/DTDs/RD_Model.dtd text/plain root:root 0o644 2.0 KB
/usr/share/RDKit/Data/DTDs/validate.py text/plain root:root 0o644 124 bytes
/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd text/plain root:root 0o644 974 bytes
/usr/share/RDKit/Contrib/ root:root 0o755
/usr/share/RDKit/Contrib/M_Kossner/ root:root 0o755
/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef text/plain root:root 0o644 6.8 KB
/usr/share/RDKit/Contrib/M_Kossner/README text/plain root:root 0o644 2.0 KB
/usr/share/RDKit/Contrib/M_Kossner/Frames.py text/x-python root:root 0o644 5.9 KB
/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp text/x-c root:root 0o644 5.2 KB
/usr/share/RDKit/Contrib/PBF/PBFRDKit.h text/x-c root:root 0o644 2.4 KB
/usr/share/RDKit/Contrib/PBF/demo.cpp text/x-c root:root 0o644 1.6 KB
/usr/share/RDKit/Contrib/PBF/testData/ root:root 0o755
/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf text/plain root:root 0o644 1.2 MB
/usr/share/RDKit/Contrib/PBF/testData/egfr.out text/plain root:root 0o644 7.8 KB
/usr/share/RDKit/Contrib/PBF/README text/plain root:root 0o644 881 bytes
/usr/share/RDKit/Contrib/PBF/Makefile text/x-makefile root:root 0o644 475 bytes
/usr/share/RDKit/Contrib/mmpa/ root:root 0o755
/usr/share/RDKit/Contrib/mmpa/rfrag.py text/x-python root:root 0o644 9.3 KB
/usr/share/RDKit/Contrib/mmpa/mol_transform.py text/x-python root:root 0o644 4.5 KB
/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py text/x-python root:root 0o644 16.1 KB
/usr/share/RDKit/Contrib/mmpa/data/ root:root 0o755
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv text/plain root:root 0o644 272 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt text/plain root:root 0o644 121 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt text/plain root:root 0o644 12 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt text/plain root:root 0o644 15 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt text/plain root:root 0o644 25 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt text/plain root:root 0o644 135 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt text/plain root:root 0o644 8 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv text/plain root:root 0o644 3.3 KB
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt text/plain root:root 0o644 32 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi text/plain root:root 0o644 45 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt text/plain root:root 0o644 6.9 KB
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt text/plain root:root 0o644 34 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample.smi text/plain root:root 0o644 412 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt text/plain root:root 0o644 138 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv text/plain root:root 0o644 1.6 KB
/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt text/plain root:root 0o644 84 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv text/plain root:root 0o644 544 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt text/plain root:root 0o644 126 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt text/plain root:root 0o644 1.5 KB
/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt text/plain root:root 0o644 157 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt text/plain root:root 0o644 103 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt text/plain root:root 0o644 130 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv text/plain root:root 0o644 121 bytes
/usr/share/RDKit/Contrib/mmpa/README.txt text/plain root:root 0o644 13.5 KB
/usr/share/RDKit/Contrib/mmpa/indexing.py text/x-python root:root 0o644 20.5 KB
/usr/share/RDKit/Contrib/mmpa/cansmirk.py text/x-python root:root 0o644 2.9 KB
/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py text/x-python root:root 0o644 10.2 KB
/usr/share/RDKit/Contrib/SA_Score/ root:root 0o755
/usr/share/RDKit/Contrib/SA_Score/sascorer.py text/x-python root:root 0o644 6.1 KB
/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz application/gzip root:root 0o644 3.7 MB
/usr/share/RDKit/Contrib/SA_Score/data/ root:root 0o755
/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt text/plain root:root 0o644 5.8 KB
/usr/share/RDKit/Contrib/SA_Score/README text/plain root:root 0o644 340 bytes
/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py text/x-c++ root:root 0o644 900 bytes
/usr/share/RDKit/Contrib/fraggle/ root:root 0o755
/usr/share/RDKit/Contrib/fraggle/fraggle.py text/x-python root:root 0o644 2.6 KB
/usr/share/RDKit/Contrib/fraggle/atomcontrib.py text/x-python root:root 0o644 5.2 KB
/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py text/plain root:root 0o644 4.1 KB
/usr/share/RDKit/Contrib/fraggle/readme.txt text/plain root:root 0o644 4.9 KB
/usr/share/RDKit/Contrib/fraggle/data/ root:root 0o755
/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv text/plain root:root 0o644 1.8 KB
/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi text/plain root:root 0o644 7.1 KB
/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out text/plain root:root 0o644 17.1 KB
/usr/share/RDKit/Contrib/fraggle/data/query.smi text/plain root:root 0o644 69 bytes
/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv text/plain root:root 0o644 1.5 KB
/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py text/x-python root:root 0o644 3.9 KB
/usr/share/RDKit/Contrib/LEF/ root:root 0o755
/usr/share/RDKit/Contrib/LEF/DistancePlot.py text/x-python root:root 0o644 4.0 KB
/usr/share/RDKit/Contrib/LEF/AddLabels.py text/x-python root:root 0o644 3.0 KB
/usr/share/RDKit/Contrib/LEF/README.txt text/plain root:root 0o644 2.3 KB
/usr/share/RDKit/Contrib/LEF/CreateFps.py text/x-python root:root 0o644 4.5 KB
/usr/share/RDKit/Contrib/LEF/ClusterFps.py text/x-python root:root 0o644 2.7 KB
/usr/share/RDKit/Contrib/LEF/DistancePredict.py text/x-c++ root:root 0o644 7.4 KB
/usr/share/RDKit/Projects/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/TestDbCLI.py text/x-c++ root:root 0o644 18.7 KB
/usr/share/RDKit/Projects/DbCLI/SearchDb.py text/x-python root:root 0o644 23.4 KB
/usr/share/RDKit/Projects/DbCLI/CreateDb.py text/x-python root:root 0o644 19.9 KB
/usr/share/RDKit/Projects/DbCLI/testData/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol text/plain root:root 0o644 2.1 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt application/x-sqlite3 root:root 0o644 123.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt application/x-empty root:root 0o644 0 bytes
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt application/x-sqlite3 root:root 0o644 171.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt application/x-sqlite3 root:root 0o644 491.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf text/plain root:root 0o644 315.3 KB
/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf text/plain root:root 0o644 423.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi text/plain root:root 0o644 523 bytes
/usr/share/RDKit/Projects/DbCLI/testData/README text/plain root:root 0o644 312 bytes
/usr/share/RDKit/Projects/DbCLI/moe_like.dsc text/plain root:root 0o644 1.6 KB
/usr/share/RDKit/Projects/SDView4/ root:root 0o755
/usr/share/RDKit/Projects/SDView4/SDView.py text/x-python root:root 0o644 19.6 KB

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