| mordred/MolecularDistanceEdge.py | 71 | A 1 hr |
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| mordred/MoeType.py | 85 | A 0 mins |
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| mordred/MoRSE.py | 63 | A 0 mins |
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| mordred/McGowanVolume.py | 23 | A 0 mins |
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| mordred/LogS.py | 52 | A 0 mins |
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| mordred/Lipinski.py | 49 | A 0 mins |
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| mordred/KappaShapeIndex.py | 66 | A 2 hrs |
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| mordred/InformationContent.py | 218 | A 2 hrs |
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| mordred/HydrogenBond.py | 34 | B 5 hrs |
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| mordred/GravitationalIndex.py | 40 | A 1 hr |
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| mordred/GeometricalIndex.py | 80 | C 1 day |
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| mordred/Framework.py | 59 | A 30 mins |
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| mordred/FragmentComplexity.py | 32 | A 0 mins |
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| mordred/ExtendedTopochemicalAtom.py | 577 | D 3 days |
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| mordred/EccentricConnectivityIndex.py | 31 | A 0 mins |
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| mordred/EState.py | 164 | A 0 mins |
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| mordred/DistanceMatrix.py | 37 | A 2 hrs |
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| mordred/DetourMatrix.py | 180 | A 3 hrs |
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| mordred/Constitutional.py | 53 | A 0 mins |
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| mordred/Chi.py | 193 | B 4 hrs |
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| mordred/CarbonTypes.py | 106 | A 0 mins |
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| mordred/CPSA.py | 290 | C 1 day |
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| mordred/BondCount.py | 87 | A 0 mins |
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| mordred/BertzCT.py | 23 | A 0 mins |
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| mordred/BaryszMatrix.py | 66 | A 0 mins |
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| mordred/BalabanJ.py | 23 | A 0 mins |
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| mordred/BCUT.py | 88 | A 25 mins |
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| mordred/Autocorrelation.py | 236 | C 1 day |
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| mordred/AtomCount.py | 103 | A 1 hr |
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| mordred/Aromatic.py | 30 | B 6 hrs |
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| mordred/AdjacencyMatrix.py | 37 | A 2 hrs |
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| mordred/AcidBase.py | 58 | A 0 mins |
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| mordred/ABCIndex.py | 57 | A 2 hrs |
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| meta.yaml | |
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| extra/requirements/requirements-pip.txt | |
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| extra/requirements/requirements-conda.txt | |
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| extra/requirements/rdkit-versions.txt | |
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| extra/id_rsa.enc | |
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| extra/gen_sdf_file.py | 22 | A 0 mins |
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| extra/ci/test_script.sh | |
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| extra/ci/install.sh | |
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|
| extra/ci/get-rdkit-version.py | 12 | A 0 mins |
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| extra/ci/gen_conda_build_config.py | 6 | A 0 mins |
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| extra/ci/common.sh | |
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| extra/ci/bump-dev-version.py | 11 | A 0 mins |
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| extra/ci/before_install.sh | |
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| extra/ci/after_success.sh | |
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| examples/article/Code8.py | 8 | A 0 mins |
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| examples/article/Code7.py | 7 | A 0 mins |
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| examples/article/Code6.py | 8 | A 0 mins |
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