rdkit-data 201603.5+dfsg-1ubuntu1 in ubuntu - bionic / universe

About

This package is 6.4 MB. It is available at http://archive.ubuntu.com/ubuntu/pool/universe/r/rdkit/rdkit-data_201603.5+dfsg-1ubuntu1_all.deb .

View its full control file here: debian/control.

Description

Collection of cheminformatics and machine-learning software (data files)

Relations

This package does not depend on any other package.

This package does not recommend any other package.

This package does not suggest any other package.

This package does not conflict with any other package.

Package Contents

This package is indexed.

rdkit-data 201603.5+dfsg-1ubuntu1 is in ubuntu - bionic / universe. This package's architecture is: architectureless.

File Mime Type Owner Mode Size
/usr/ 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 1.8 KB
/usr/share/doc/rdkit-data/copyright text/plain root:root 0o644 6.6 KB
/usr/share/RDKit/ root:root 0o755
/usr/share/RDKit/Contrib/ root:root 0o755
/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/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_coords2.trx text/plain root:root 0o644 251 bytes
/usr/share/RDKit/Contrib/ConformerParser/test_data/water_coords_bad2.trx text/plain root:root 0o644 68 bytes
/usr/share/RDKit/Contrib/ConformerParser/test_data/water_coords_bad.trx text/plain root:root 0o644 172 bytes
/usr/share/RDKit/Contrib/ConformerParser/test_data/water_coords.trx text/plain root:root 0o644 141 bytes
/usr/share/RDKit/Contrib/ConformerParser/test_list.py text/plain root:root 0o644 228 bytes
/usr/share/RDKit/Contrib/ConformerParser/Wrap/ root:root 0o755
/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt text/plain root:root 0o644 333 bytes
/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp text/x-c root:root 0o644 3.2 KB
/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py text/x-c++ root:root 0o644 1.3 KB
/usr/share/RDKit/Contrib/ConformerParser/Wrap/test_list.py text/plain root:root 0o644 225 bytes
/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_fragmentation.csv text/plain root:root 0o644 1.8 KB
/usr/share/RDKit/Contrib/fraggle/data/query.smi text/plain root:root 0o644 69 bytes
/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/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/mmpa/ root:root 0o755
/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_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_smarts.txt text/plain root:root 0o644 15 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_trans_smarts.txt text/plain root:root 0o644 8 bytes
/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_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.smi text/plain root:root 0o644 412 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_mol_trans.txt text/plain root:root 0o644 25 bytes
/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt text/plain root:root 0o644 138 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 20.4 KB
/usr/share/RDKit/Contrib/mmpa/mol_transform.py text/x-python root:root 0o644 4.6 KB
/usr/share/RDKit/Contrib/mmpa/README.txt text/plain root:root 0o644 13.5 KB
/usr/share/RDKit/Contrib/mmpa/rfrag.py text/x-python root:root 0o644 8.4 KB
/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py text/x-python root:root 0o644 16.1 KB
/usr/share/RDKit/Contrib/NP_Score/ root:root 0o755
/usr/share/RDKit/Contrib/NP_Score/npscorer.py text/x-python root:root 0o644 3.6 KB
/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz application/gzip root:root 0o644 2.0 MB
/usr/share/RDKit/Contrib/NP_Score/README text/plain root:root 0o644 340 bytes
/usr/share/RDKit/Contrib/PBF/ root:root 0o755
/usr/share/RDKit/Contrib/PBF/demo.cpp text/x-c root:root 0o644 1.6 KB
/usr/share/RDKit/Contrib/PBF/Makefile text/x-makefile root:root 0o644 475 bytes
/usr/share/RDKit/Contrib/PBF/pbf.py text/x-python root:root 0o644 1.8 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/README text/plain root:root 0o644 881 bytes
/usr/share/RDKit/Contrib/PBF/testData/ root:root 0o755
/usr/share/RDKit/Contrib/PBF/testData/egfr.out text/plain root:root 0o644 7.8 KB
/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf text/plain root:root 0o644 1.2 MB
/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 47.9 KB
/usr/share/RDKit/Contrib/pzc/readme.md text/x-python root:root 0o644 1.4 KB
/usr/share/RDKit/Contrib/SA_Score/ root:root 0o755
/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/README text/plain root:root 0o644 340 bytes
/usr/share/RDKit/Contrib/SA_Score/sascorer.py text/x-python root:root 0o644 5.4 KB
/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py text/x-c++ root:root 0o644 950 bytes
/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/Crippen.txt text/plain root:root 0o644 4.1 KB
/usr/share/RDKit/Data/DTDs/ root:root 0o755
/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd text/plain root:root 0o644 974 bytes
/usr/share/RDKit/Data/DTDs/RD_Model.dtd text/plain root:root 0o644 2.0 KB
/usr/share/RDKit/Data/DTDs/validate.py text/x-python root:root 0o644 163 bytes
/usr/share/RDKit/Data/FragmentDescriptors.csv text/plain root:root 0o644 9.7 KB
/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt text/plain root:root 0o644 5.8 KB
/usr/share/RDKit/Data/FunctionalGroups.txt text/plain root:root 0o644 2.4 KB
/usr/share/RDKit/Data/NCI/ root:root 0o755
/usr/share/RDKit/Data/NCI/first_200.props.sdf text/plain root:root 0o644 405.5 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/Pains/ root:root 0o755
/usr/share/RDKit/Data/Pains/README.md text/plain root:root 0o644 484 bytes
/usr/share/RDKit/Data/Pains/test_data/ root:root 0o755
/usr/share/RDKit/Data/Pains/test_data/run_tests.py text/x-c++ root:root 0o644 1.2 KB
/usr/share/RDKit/Data/Pains/test_data/test_set3.txt text/plain root:root 0o644 77.9 KB
/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv text/plain root:root 0o644 551.5 KB
/usr/share/RDKit/Data/Pains/wehi_pains.csv text/plain root:root 0o644 61.2 KB
/usr/share/RDKit/Data/rddata.sql text/plain root:root 0o644 48.9 KB
/usr/share/RDKit/Data/RDData.sqlt application/x-sqlite3 root:root 0o644 81.0 KB
/usr/share/RDKit/Data/RDTests.sqlt application/x-sqlite3 root:root 0o644 44.0 KB
/usr/share/RDKit/Data/Salts.txt text/plain root:root 0o644 2.6 KB
/usr/share/RDKit/Data/SmartsLib/ root:root 0o755
/usr/share/RDKit/Data/SmartsLib/patty_rules.txt text/plain root:root 0o644 9.1 KB
/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt text/plain root:root 0o644 13.9 KB
/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/fps.1000.counts.pkl.gz application/gzip root:root 0o644 12.5 KB
/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz application/gzip root:root 0o644 107.3 KB
/usr/share/RDKit/Data/struchk/ root:root 0o755
/usr/share/RDKit/Data/struchk/checkfgs.chk text/plain root:root 0o644 29.1 KB
/usr/share/RDKit/Data/struchk/checkfgs.opt text/plain root:root 0o644 568 bytes
/usr/share/RDKit/Data/struchk/checkfgs.trn text/plain root:root 0o644 11.0 KB
/usr/share/RDKit/Projects/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/CreateDb.py text/x-python root:root 0o644 20.5 KB
/usr/share/RDKit/Projects/DbCLI/moe_like.dsc text/plain root:root 0o644 1.6 KB
/usr/share/RDKit/Projects/DbCLI/SearchDb.py text/x-python root:root 0o644 23.6 KB
/usr/share/RDKit/Projects/DbCLI/testData/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/testData/bzr/ root:root 0o755
/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi text/plain root:root 0o644 460 bytes
/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt application/x-sqlite3 root:root 0o644 576.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt application/x-sqlite3 root:root 0o644 132.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt application/x-sqlite3 root:root 0o644 20.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt application/x-sqlite3 root:root 0o644 120.0 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_q1.mol text/plain root:root 0o644 2.1 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf text/plain root:root 0o644 315.3 KB
/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi text/plain root:root 0o644 523 bytes
/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf text/plain root:root 0o644 423.0 KB
/usr/share/RDKit/Projects/DbCLI/testData/README text/plain root:root 0o644 312 bytes
/usr/share/RDKit/Projects/DbCLI/TestDbCLI.py text/x-c++ root:root 0o644 21.0 KB

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