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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| rdtrajectory.so | 2022-10-25 15:02 | 189K | |
| rdqueries.so | 2022-10-25 15:02 | 388K | |
| rdmolops.so | 2022-10-25 15:02 | 1.1M | |
| rdmolfiles.so | 2022-10-25 15:02 | 1.8M | |
| rdinchi.so | 2022-10-25 15:02 | 86K | |
| rdfragcatalog.so | 2022-10-25 15:02 | 300K | |
| rdfiltercatalog.so | 2022-10-25 15:02 | 1.5M | |
| rdchem.so | 2022-10-25 15:02 | 3.9M | |
| rdTautomerQuery.so | 2022-10-25 15:02 | 352K | |
| rdSubstructLibrary.so | 2022-10-25 15:02 | 957K | |
| rdShapeHelpers.so | 2022-10-25 15:02 | 165K | |
| rdSLNParse.so | 2022-10-25 15:02 | 54K | |
| rdReducedGraphs.so | 2022-10-25 15:02 | 64K | |
| rdRGroupDecomposition.so | 2022-10-25 15:02 | 406K | |
| rdPartialCharges.so | 2022-10-25 15:02 | 39K | |
| rdMolTransforms.so | 2022-10-25 15:02 | 177K | |
| rdMolInterchange.so | 2022-10-25 15:02 | 98K | |
| rdMolHash.so | 2022-10-25 15:02 | 52K | |
| rdMolEnumerator.so | 2022-10-25 15:02 | 174K | |
| rdMolDescriptors.so | 2022-10-25 15:02 | 808K | |
| rdMolChemicalFeatures.so | 2022-10-25 15:02 | 251K | |
| rdMolCatalog.so | 2022-10-25 15:02 | 254K | |
| rdMolAlign.so | 2022-10-25 15:02 | 299K | |
| rdMMPA.so | 2022-10-25 15:02 | 81K | |
| rdMHFPFingerprint.so | 2022-10-25 15:02 | 635K | |
| rdFreeSASA.so | 2022-10-25 15:02 | 155K | |
| rdForceFieldHelpers.so | 2022-10-25 15:02 | 224K | |
| rdFingerprintGenerator.so | 2022-10-25 15:02 | 461K | |
| rdFMCS.so | 2022-10-25 15:02 | 468K | |
| rdEHTTools.so | 2022-10-25 15:02 | 86K | |
| rdDistGeom.so | 2022-10-25 15:02 | 280K | |
| rdDetermineBonds.so | 2022-10-25 15:02 | 61K | |
| rdDeprotect.so | 2022-10-25 15:02 | 304K | |
| rdDepictor.so | 2022-10-25 15:02 | 152K | |
| rdCoordGen.so | 2022-10-25 15:02 | 234K | |
| rdChemicalFeatures.so | 2022-10-25 15:02 | 138K | |
| rdChemReactions.so | 2022-10-25 15:02 | 1.9M | |
| rdCIPLabeler.so | 2022-10-25 15:02 | 35K | |
| rdAbbreviations.so | 2022-10-25 15:02 | 355K | |
| nbtests/ | 2023-03-20 19:56 | - | |
| inchi.py | 2022-10-25 15:02 | 8.4K | |
| fmcs/ | 2023-03-20 19:56 | - | |
| cmake_install.cmake | 2023-03-20 19:56 | 1.4K | |
| __pycache__/ | 2023-03-20 19:56 | - | |
| __init__.py | 2022-10-21 08:52 | 5.5K | |
| TorsionFingerprints.py | 2022-10-21 08:52 | 26K | |
| TemplateAlign.py | 2022-10-21 08:52 | 3.2K | |
| Suppliers/ | 2023-03-20 19:56 | - | |
| Subshape/ | 2023-03-20 19:56 | - | |
| SimpleEnum/ | 2023-03-20 19:56 | - | |
| ShowMols.py | 2022-10-21 08:52 | 931 | |
| Scaffolds/ | 2023-03-20 19:56 | - | |
| SaltRemover.py | 2022-10-21 08:52 | 10K | |
| SATIS.py | 2022-10-21 08:52 | 2.7K | |
| RegistrationHash.py | 2022-10-21 08:52 | 16K | |
| ReducedGraphs.py | 2022-10-21 08:52 | 562 | |
| Recap.py | 2022-10-21 08:52 | 24K | |
| Randomize.py | 2022-10-21 08:52 | 1.7K | |
| QED.py | 2022-10-21 08:52 | 11K | |
| PyMol.py | 2022-10-21 08:52 | 8.2K | |
| PropertyMol.py | 2022-10-21 08:52 | 3.2K | |
| Pharm3D/ | 2023-03-20 19:56 | - | |
| Pharm2D/ | 2023-03-20 19:56 | - | |
| PandasTools.py | 2022-10-21 08:52 | 24K | |
| PandasPatcher.py | 2022-10-21 08:52 | 8.2K | |
| MolSurf.py | 2022-10-21 08:52 | 14K | |
| MolStandardize/ | 2023-03-20 19:56 | - | |
| MolKey/ | 2023-03-20 19:56 | - | |
| MolDb/ | 2023-03-20 19:56 | - | |
| MolCatalog.py | 2022-10-21 08:52 | 84 | |
| Makefile | 2022-10-25 14:31 | 8.7K | |
| MCS.py | 2022-10-21 08:52 | 17K | |
| MACCSkeys.py | 2022-10-21 08:52 | 11K | |
| Lipinski.py | 2022-10-21 08:52 | 4.0K | |
| Graphs.py | 2022-10-21 08:52 | 1.3K | |
| GraphDescriptors.py | 2022-10-21 08:52 | 20K | |
| FunctionalGroups.py | 2022-10-21 08:52 | 5.3K | |
| Fragments.py | 2022-10-21 08:52 | 1.6K | |
| FragmentMatcher.py | 2022-10-21 08:52 | 2.2K | |
| FragmentCatalog.py | 2022-10-21 08:52 | 2.4K | |
| Fraggle/ | 2023-03-20 19:56 | - | |
| Fingerprints/ | 2023-03-20 19:56 | - | |
| FilterCatalog.py | 2022-10-21 08:52 | 2.1K | |
| Features/ | 2023-03-20 19:56 | - | |
| FeatMaps/ | 2023-03-20 19:56 | - | |
| FeatFinderCLI.py | 2022-10-21 08:52 | 3.3K | |
| FastSDMolSupplier.py | 2022-10-21 08:52 | 498 | |
| EnumerateStereoisomers.py | 2022-10-21 08:52 | 13K | |
| EnumerateHeterocycles.py | 2022-10-21 08:52 | 12K | |
| EState/ | 2023-03-20 19:56 | - | |
| Draw/ | 2023-03-20 19:56 | - | |
| Descriptors3D.py | 2022-10-21 08:52 | 5.7K | |
| Descriptors.py | 2022-10-21 08:52 | 7.6K | |
| DSViewer.py | 2022-10-21 08:52 | 12K | |
| Crippen.py | 2022-10-21 08:52 | 6.0K | |
| ChemicalForceFields.py | 2022-10-21 08:52 | 363 | |
| ChemicalFeatures.py | 2022-10-21 08:52 | 719 | |
| ChemUtils/ | 2023-03-20 19:56 | - | |
| CTestTestfile.cmake | 2023-03-20 19:56 | 1.1K | |
| BuildFragmentCatalog.py | 2022-10-21 08:52 | 20K | |
| BRICS.py | 2022-10-21 08:52 | 35K | |
| AtomPairs/ | 2023-03-20 19:56 | - | |
| AllChem.py | 2022-10-21 08:52 | 15K | |