.codecov.yml .gitignore .readthedocs.yml .travis.yml CODE_OF_CONDUCT.md LICENSE README.md appveyor.yml chemper/__init__.py chemper/_version.py chemper/chemper_utils.py chemper/data/README.md chemper/data/__init__.py chemper/data/molecules/AlkEthOH_filtered_tripos.mol2 chemper/data/molecules/MiniDrugBank_tripos.mol2 chemper/data/smarts_files/README.md chemper/data/smarts_files/angle_smirks.smarts chemper/data/smarts_files/bond_smirks.smarts chemper/data/smarts_files/improper_torsion_smirks.smarts chemper/data/smarts_files/nonbond_smirks.smarts chemper/data/smarts_files/proper_torsion_smirks.smarts chemper/data/smarts_files/smirnoffishFrcmod.parm99Frosst.txt chemper/graphs/__init__.py chemper/graphs/cluster_graph.py chemper/graphs/environment.py chemper/graphs/single_graph.py chemper/mol_toolkits/__init__.py chemper/mol_toolkits/adapters.py chemper/mol_toolkits/cp_openeye.py chemper/mol_toolkits/cp_rdk.py chemper/mol_toolkits/mol_toolkit.py chemper/smirksify.py chemper/tests/__init__.py chemper/tests/test_basic_graphs.py chemper/tests/test_chemicalenvironment.py chemper/tests/test_complex_typing.py chemper/tests/test_examples.py chemper/tests/test_graphs_output.py chemper/tests/test_mol_toolkits.py chemper/tests/test_smirksify.py chemper/tests/test_utils.py chemper_logo.svg conf.py devtools/README.md devtools/conda-envs/test_env_both.yaml devtools/conda-envs/test_env_oe.yaml devtools/conda-envs/test_env_rdk.yaml devtools/conda-recipe/bld.bat devtools/conda-recipe/build.sh devtools/conda-recipe/meta.yaml devtools/scripts/create_conda_env.py devtools/travis-ci/before_install.sh docs/Makefile docs/README.md docs/api/cluster_graph.rst docs/api/index.rst docs/api/mol.rst docs/api/openeye.rst docs/api/rdkit.rst docs/api/single_graph.rst docs/api/smirksify.rst docs/environment.yml docs/examples.rst docs/future.rst docs/installation.rst docs/intro.rst examples/README.md examples/cluster_graph_demo.py examples/general_smirks_for_clusters.ipynb examples/single_graph_demo.py examples/single_mol_smirks.ipynb examples/smirks_from_molecules.ipynb examples/smirksify_demo.py index.rst oe_license.txt.enc setup.cfg setup.py versioneer.py <<<<<< network # path=C:\projects\chemper\coverage.xml C:\projects\chemper <<<<<< EOF