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Folder: GraphMol
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.. (parent) | |||
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d | rwxr-xr-x | 30 | Basement |
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d | rwxr-xr-x | 4,096 | ChemReactions |
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d | rwxr-xr-x | 4,096 | ChemTransforms |
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d | rwxr-xr-x | 4,096 | Depictor |
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d | rwxr-xr-x | 4,096 | Descriptors |
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d | rwxr-xr-x | 4,096 | DistGeomHelpers |
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d | rwxr-xr-x | 4,096 | FMCS |
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d | rwxr-xr-x | 4,096 | FileParsers |
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d | rwxr-xr-x | 4,096 | FilterCatalog |
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d | rwxr-xr-x | 4,096 | Fingerprints |
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d | rwxr-xr-x | 99 | ForceFieldHelpers |
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d | rwxr-xr-x | 4,096 | FragCatalog |
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d | rwxr-xr-x | 114 | MMPA |
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d | rwxr-xr-x | 4,096 | MolAlign |
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d | rwxr-xr-x | 4,096 | MolCatalog |
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d | rwxr-xr-x | 4,096 | MolChemicalFeatures |
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d | rwxr-xr-x | 4,096 | MolDraw2D |
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d | rwxr-xr-x | 145 | MolHash |
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d | rwxr-xr-x | 4,096 | MolInterchange |
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d | rwxr-xr-x | 4,096 | MolStandardize |
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d | rwxr-xr-x | 4,096 | MolTransforms |
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d | rwxr-xr-x | 4,096 | PartialCharges |
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d | rwxr-xr-x | 133 | RGroupDecomposition |
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d | rwxr-xr-x | 124 | ReducedGraphs |
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d | rwxr-xr-x | 4,096 | SLNParse |
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d | rwxr-xr-x | 4,096 | ShapeHelpers |
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d | rwxr-xr-x | 4,096 | SmilesParse |
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d | rwxr-xr-x | 4,096 | StructChecker |
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d | rwxr-xr-x | 4,096 | Subgraphs |
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d | rwxr-xr-x | 4,096 | Substruct |
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d | rwxr-xr-x | 145 | SubstructLibrary |
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d | rwxr-xr-x | 133 | Trajectory |
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d | rwxr-xr-x | 4,096 | Wrap |
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d | rwxr-xr-x | 29 | libs |
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d | rwxr-xr-x | 29 | testExecs |
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d | rwxr-xr-x | 4,096 | test_data |
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- | rw-r--r-- | 37,959 | AddHs.cpp |
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- | rw-r--r-- | 7,656 | AdjustQuery.cpp |
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- | rw-r--r-- | 28,882 | Aromaticity.cpp |
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- | rw-r--r-- | 20,387 | Atom.cpp |
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- | rw-r--r-- | 14,055 | Atom.h |
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- | rw-r--r-- | 17,591 | AtomIterators.cpp |
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- | rw-r--r-- | 5,607 | AtomIterators.h |
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- | rw-r--r-- | 7,578 | Bond.cpp |
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- | rw-r--r-- | 10,405 | Bond.h |
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- | rw-r--r-- | 3,447 | BondIterators.cpp |
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- | rw-r--r-- | 2,342 | BondIterators.h |
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- | rw-r--r-- | 4,830 | CMakeLists.txt |
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- | rw-r--r-- | 46,041 | Canon.cpp |
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- | rw-r--r-- | 3,889 | Canon.h |
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- | rw-r--r-- | 74,529 | Chirality.cpp |
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- | rw-r--r-- | 911 | Chirality.h |
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- | rw-r--r-- | 1,586 | Conformer.cpp |
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- | rw-r--r-- | 4,491 | Conformer.h |
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- | rw-r--r-- | 5,838 | ConjugHybrid.cpp |
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- | rw-r--r-- | 46,939 | FindRings.cpp |
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- | rw-r--r-- | 363 | GraphMol.cpp |
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- | rw-r--r-- | 479 | GraphMol.h |
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- | rw-r--r-- | 22,786 | Kekulize.cpp |
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- | rw-r--r-- | 11,725 | Matrices.cpp |
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- | rw-r--r-- | 2,661 | MolBundle.h |
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- | rw-r--r-- | 3,391 | MolDiscriminators.cpp |
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- | rw-r--r-- | 25,518 | MolOps.cpp |
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- | rw-r--r-- | 36,445 | MolOps.h |
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- | rw-r--r-- | 63,963 | MolPickler.cpp |
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- | rw-r--r-- | 8,432 | MolPickler.h |
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- | rw-r--r-- | 5,512 | MonomerInfo.h |
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- | rw-r--r-- | 2,744 | PeriodicTable.cpp |
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- | rw-r--r-- | 11,269 | PeriodicTable.h |
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- | rw-r--r-- | 5,002 | QueryAtom.cpp |
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- | rw-r--r-- | 3,325 | QueryAtom.h |
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- | rw-r--r-- | 5,804 | QueryBond.cpp |
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- | rw-r--r-- | 3,553 | QueryBond.h |
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- | rw-r--r-- | 21,080 | QueryOps.cpp |
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- | rw-r--r-- | 32,544 | QueryOps.h |
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- | rw-r--r-- | 852 | RDKitBase.h |
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- | rw-r--r-- | 581 | RDKitQueries.h |
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- | rw-r--r-- | 18,131 | ROMol.cpp |
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- | rw-r--r-- | 22,791 | ROMol.h |
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- | rw-r--r-- | 13,790 | RWMol.cpp |
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- | rw-r--r-- | 6,770 | RWMol.h |
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- | rw-r--r-- | 3,343 | Renumber.cpp |
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- | rw-r--r-- | 59,382 | Resonance.cpp |
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- | rw-r--r-- | 6,605 | Resonance.h |
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- | rw-r--r-- | 3,717 | RingInfo.cpp |
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- | rw-r--r-- | 3,875 | RingInfo.h |
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- | rw-r--r-- | 3,459 | Rings.h |
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- | rw-r--r-- | 946 | SanitException.h |
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- | rw-r--r-- | 1,261 | StereoGroup.cpp |
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- | rw-r--r-- | 1,993 | StereoGroup.h |
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- | rwxr-xr-x | 740 | UnitTestQueryMol.py |
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- | rw-r--r-- | 93,532 | atomic_data.cpp |
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- | rw-r--r-- | 2,172 | atomic_data.h |
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- | rw-r--r-- | 23,995 | blah |
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- | rw-r--r-- | 14,013 | blah.hpp |
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- | rw-r--r-- | 1,925 | bulktest.cpp |
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- | rw-r--r-- | 3,600 | catch_tests.cpp |
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- | rw-r--r-- | 3,273 | cptest.cpp |
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- | rw-r--r-- | 385 | details.h |
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- | rw-r--r-- | 57,051 | hanoitest.cpp |
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- | rw-r--r-- | 10,869 | itertest.cpp |
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- | rw-r--r-- | 5,594 | memtest1.cpp |
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- | rw-r--r-- | 250,233 | molopstest.cpp |
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- | rw-r--r-- | 22,488 | new_canon.cpp |
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- | rw-r--r-- | 23,218 | new_canon.h |
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- | rw-r--r-- | 26,811 | querytest.cpp |
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- | rwxr-xr-x | 52 | regress.txt |
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- | rw-r--r-- | 27,748 | resMolSupplierTest.cpp |
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- | rw-r--r-- | 2,419 | sanitTest.cpp |
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- | rw-r--r-- | 2,038 | test-valgrind.cpp |
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- | rw-r--r-- | 46,908 | test1.cpp |
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- | rw-r--r-- | 5,754 | testCanon.cpp |
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- | rw-r--r-- | 98,302 | testChirality.cpp |
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- | rw-r--r-- | 5,210 | testMolBundle.cpp |
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- | rw-r--r-- | 42,450 | testPickler.cpp |
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- | rw-r--r-- | 8,882 | testPicklerGlobalSettings.cpp |
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- | rwxr-xr-x | 1,960 | test_list.py |