| docs/scripts/__init__.py | 0 | A 0 mins |
|
| docs/scripts/gen_atomic_props.py | 11 | A 0 mins |
|
| docs/scripts/gen_descriptor_doc.py | 50 | A 0 mins |
|
| docs/scripts/load_path.py | 5 | A 0 mins |
|
| examples/010-single_mol-single_desc.py | 9 | A 0 mins |
|
| examples/020-single_mol-multiple_desc.py | 20 | A 0 mins |
|
| examples/030-multiple_mol-multiple_desc.py | 13 | A 0 mins |
|
| examples/110-descriptor-arithmetic.py | 8 | A 0 mins |
|
| examples/article/Code2.py | 6 | A 0 mins |
|
| examples/article/Code3.py | 4 | A 0 mins |
|
| examples/article/Code4.py | 4 | A 0 mins |
|
| examples/article/Code5.py | 10 | A 0 mins |
|
| examples/article/Code6.py | 8 | A 0 mins |
|
| examples/article/Code7.py | 7 | A 0 mins |
|
| examples/article/Code8.py | 8 | A 0 mins |
|
| extra/ci/bump-dev-version.py | 11 | A 0 mins |
|
| extra/ci/gen_conda_build_config.py | 6 | A 0 mins |
|
| extra/ci/get-rdkit-version.py | 12 | A 0 mins |
|
| extra/gen_sdf_file.py | 22 | A 0 mins |
|
| mordred/AcidBase.py | 58 | A 0 mins |
|
| mordred/BalabanJ.py | 23 | A 0 mins |
|
| mordred/BaryszMatrix.py | 66 | A 0 mins |
|
| mordred/BertzCT.py | 23 | A 0 mins |
|
| mordred/BondCount.py | 87 | A 0 mins |
|
| mordred/CarbonTypes.py | 106 | A 0 mins |
|
| mordred/Constitutional.py | 53 | A 0 mins |
|
| mordred/EState.py | 164 | A 0 mins |
|
| mordred/EccentricConnectivityIndex.py | 31 | A 0 mins |
|
| mordred/FragmentComplexity.py | 32 | A 0 mins |
|
| mordred/Lipinski.py | 49 | A 0 mins |
|
| mordred/LogS.py | 52 | A 0 mins |
|
| mordred/McGowanVolume.py | 23 | A 0 mins |
|
| mordred/MoRSE.py | 63 | A 0 mins |
|
| mordred/MoeType.py | 85 | A 0 mins |
|
| mordred/MomentOfInertia.py | 49 | A 0 mins |
|
| mordred/PBF.py | 20 | A 0 mins |
|
| mordred/Polarizability.py | 45 | A 0 mins |
|
| mordred/RotatableBond.py | 41 | A 0 mins |
|
| mordred/TopologicalCharge.py | 75 | A 0 mins |
|
| mordred/VdwVolumeABC.py | 55 | A 0 mins |
|
| mordred/VertexAdjacencyInformation.py | 32 | A 0 mins |
|
| mordred/WienerIndex.py | 31 | A 0 mins |
|
| mordred/ZagrebIndex.py | 57 | A 0 mins |
|
| mordred/__init__.py | 19 | A 0 mins |
|
| mordred/_base/pandas_module.py | 12 | A 0 mins |
|
| mordred/_base/result.py | 130 | A 0 mins |
|
| mordred/_base/util.py | 16 | A 0 mins |
|
| mordred/_version.py | 5 | A 0 mins |
|
| mordred/error/__init__.py | 64 | A 0 mins |
|
| mordred/surface_area/__init__.py | 14 | A 0 mins |
|