examples/article/Code5.py | 10 | A 0 mins |
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examples/article/Code4.py | 4 | A 0 mins |
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examples/article/Code3.py | 4 | A 0 mins |
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examples/article/Code2.py | 6 | A 0 mins |
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examples/110-descriptor-arithmetic.py | 8 | A 0 mins |
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examples/030-multiple_mol-multiple_desc.py | 13 | A 0 mins |
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examples/020-single_mol-multiple_desc.py | 20 | A 0 mins |
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examples/010-single_mol-single_desc.py | 9 | A 0 mins |
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docs/subpackages/mordred.error.rst | |
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docs/subpackages/mordred.descriptors.rst | |
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docs/scripts/load_path.py | 5 | A 0 mins |
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docs/scripts/gen_descriptor_list_xlsx.py | 32 | A 55 mins |
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docs/scripts/gen_descriptor_doc.py | 50 | A 0 mins |
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docs/scripts/gen_default_descs.py | 60 | A 25 mins |
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docs/scripts/gen_atomic_props.py | 11 | A 0 mins |
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docs/scripts/__init__.py | 0 | A 0 mins |
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docs/refs.bib | |
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docs/mordred.rst | |
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docs/matrix.rst | |
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docs/introduction.rst | |
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docs/conf.py | 64 | A 1 hr |
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docs/Makefile | |
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README.rst | |
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LICENSE | |
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CONTRIBUTING.md | |
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.gitignore | |
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.github/PULL_REQUEST_TEMPLATE.md | |
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