├── .gitignore ├── LICENSE ├── README.md ├── docs ├── Makefile ├── make.bat └── source │ ├── 1_Installing_SMiPoly.md │ ├── 2_Getting_start.md │ ├── 3_Modules_Overview.md │ ├── 41_MonomerDefiner.md │ ├── 42_Ps_rxnL.md │ ├── 43_Ps_GenL.md │ ├── 4_utilities.md │ ├── 5_Directory_config.md │ ├── 6_Postface.md │ ├── conf.py │ ├── index.rst │ ├── modules.rst │ ├── smipoly.rst │ ├── smipoly.smip.funclib.rst │ ├── smipoly.smip.monc.rst │ ├── smipoly.smip.polg.rst │ └── smipoly.smip.rst ├── pyproject.toml ├── sample_data ├── 202207_smip_monset.csv └── SMiPoly_001_generatedPolymer.csv.zip ├── sample_script └── sample_smip_demo4.ipynb ├── setup.cfg ├── setup.py ├── src └── smipoly │ ├── __init__.py │ ├── _version.py │ ├── rules │ ├── excl_lst.json │ ├── mon_dic.json │ ├── mon_dic_inv.json │ ├── mon_lst.json │ ├── mon_vals.json │ ├── ps_class.json │ ├── ps_gen.pkl │ └── ps_rxn.pkl │ └── smip │ ├── __init__.py │ ├── funclib.py │ ├── monc.py │ └── polg.py └── utilities ├── 1_MonomerDefiner.ipynb ├── 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