rdkit-data 201503-3 / usr / share / RDKit / Contrib

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/usr/share/RDKit/Contrib/ is in rdkit-data 201503-3.

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File Mime Type Owner Mode Size
..
/usr/share/RDKit/Contrib/CMakeLists.txt text/plain root:root 0o644 37 bytes
/usr/share/RDKit/Contrib/ConformerParser/ root:root 0o755
/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt text/plain root:root 0o644 254 bytes
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp text/x-c root:root 0o644 4.4 KB
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h text/x-c root:root 0o644 2.7 KB
/usr/share/RDKit/Contrib/ConformerParser/Wrap/ root:root 0o755
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/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp text/x-c root:root 0o644 3.2 KB
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/usr/share/RDKit/Contrib/ConformerParser/test.cpp text/x-c root:root 0o644 4.3 KB
/usr/share/RDKit/Contrib/ConformerParser/test_data/ root:root 0o755
/usr/share/RDKit/Contrib/ConformerParser/test_data/water_coords.trx text/plain root:root 0o644 141 bytes
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/usr/share/RDKit/Contrib/ConformerParser/test_list.py text/plain root:root 0o644 228 bytes
/usr/share/RDKit/Contrib/LEF/ root:root 0o755
/usr/share/RDKit/Contrib/LEF/AddLabels.py text/x-python root:root 0o644 3.1 KB
/usr/share/RDKit/Contrib/LEF/ClusterFps.py text/x-python root:root 0o644 2.8 KB
/usr/share/RDKit/Contrib/LEF/CreateFps.py text/x-python root:root 0o644 4.6 KB
/usr/share/RDKit/Contrib/LEF/DistancePlot.py text/x-python root:root 0o644 4.0 KB
/usr/share/RDKit/Contrib/LEF/DistancePredict.py text/x-c++ root:root 0o644 7.4 KB
/usr/share/RDKit/Contrib/LEF/README.txt text/plain root:root 0o644 2.3 KB
/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/Frames.py text/x-python root:root 0o644 6.0 KB
/usr/share/RDKit/Contrib/M_Kossner/README text/plain root:root 0o644 2.0 KB
/usr/share/RDKit/Contrib/PBF/ root:root 0o755
/usr/share/RDKit/Contrib/PBF/Makefile text/x-makefile root:root 0o644 475 bytes
/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/README text/plain root:root 0o644 881 bytes
/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
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/usr/share/RDKit/Contrib/SA_Score/ root:root 0o755
/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 950 bytes
/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/fpscores.pkl.gz application/gzip root:root 0o644 3.7 MB
/usr/share/RDKit/Contrib/SA_Score/sascorer.py text/x-python root:root 0o644 6.2 KB
/usr/share/RDKit/Contrib/fraggle/ root:root 0o755
/usr/share/RDKit/Contrib/fraggle/atomcontrib.py text/x-python root:root 0o644 5.3 KB
/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py text/plain root:root 0o644 4.2 KB
/usr/share/RDKit/Contrib/fraggle/data/ root:root 0o755
/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi text/plain root:root 0o644 7.1 KB
/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv text/plain root:root 0o644 1.5 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/query_fragmentation.csv text/plain root:root 0o644 1.8 KB
/usr/share/RDKit/Contrib/fraggle/fraggle.py text/x-python root:root 0o644 2.7 KB
/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py text/x-python root:root 0o644 4.0 KB
/usr/share/RDKit/Contrib/fraggle/readme.txt text/plain root:root 0o644 4.9 KB
/usr/share/RDKit/Contrib/mmpa/ root:root 0o755
/usr/share/RDKit/Contrib/mmpa/README.txt text/plain root:root 0o644 13.5 KB
/usr/share/RDKit/Contrib/mmpa/cansmirk.py text/x-python root:root 0o644 3.0 KB
/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py text/x-python root:root 0o644 10.2 KB
/usr/share/RDKit/Contrib/mmpa/data/ root:root 0o755
/usr/share/RDKit/Contrib/mmpa/data/sample.smi text/plain root:root 0o644 412 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_smi.txt text/plain root:root 0o644 34 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_db_input_trans.txt text/plain root:root 0o644 32 bytes
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/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_db_search_subs_smart_output.txt text/plain root:root 0o644 1.5 KB
/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_search_trans_smarts_output.txt text/plain root:root 0o644 126 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_mmps_default.csv text/plain root:root 0o644 1.6 KB
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv text/plain root:root 0o644 272 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv text/plain root:root 0o644 121 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_mmps_sym_maxheavy.csv text/plain root:root 0o644 544 bytes
/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_smiles_mol_trans.smi text/plain root:root 0o644 45 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt text/plain root:root 0o644 138 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_transfroms.txt text/plain root:root 0o644 84 bytes
/usr/share/RDKit/Contrib/mmpa/indexing.py text/x-python root:root 0o644 20.6 KB
/usr/share/RDKit/Contrib/mmpa/mol_transform.py text/x-python root:root 0o644 4.6 KB
/usr/share/RDKit/Contrib/mmpa/rfrag.py text/x-python root:root 0o644 9.4 KB
/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py text/x-python root:root 0o644 16.1 KB
/usr/share/RDKit/Contrib/pzc/ root:root 0o755
/usr/share/RDKit/Contrib/pzc/p_con.html text/html root:root 0o644 5.0 KB
/usr/share/RDKit/Contrib/pzc/p_con.py text/x-c++ root:root 0o644 47.8 KB
/usr/share/RDKit/Contrib/pzc/readme.md text/x-python root:root 0o644 1.4 KB

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