rdkit-data 201603.5+dfsg-1ubuntu1

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

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

About

Description

Relations

Package Contents