├── .eslintrc.json ├── .github └── workflows │ ├── build.yml │ ├── ci.yml │ └── formatting_linting.yml ├── .gitignore ├── .prettierignore ├── .prettierrc.json ├── .readthedocs.yaml ├── CHANGELOG.md ├── CITATION.cff ├── DEVELOPMENT.md ├── LICENSE ├── README.md ├── codecov.yml ├── docs ├── _static │ ├── custom.css │ ├── demo.png │ └── mols2grid_logo.png ├── api │ ├── callbacks.rst │ ├── molgrid.rst │ ├── simple.rst │ └── utils.rst ├── conf.py ├── contents.md ├── index.rst └── notebooks │ ├── callbacks.ipynb │ ├── customization.ipynb │ ├── filtering.ipynb │ └── quickstart.ipynb ├── mols2grid ├── __init__.py ├── _version.py ├── callbacks.py ├── data │ └── solubility.test.sdf ├── datafiles.py ├── dispatch.py ├── molgrid.py ├── select.py ├── templates │ ├── __init__.py │ ├── css │ │ ├── common.css │ │ ├── interactive.css │ │ └── static.css │ ├── html │ │ ├── common_header.html │ │ ├── iframe.html │ │ └── interactive_header.html │ ├── interactive.html │ ├── js │ │ ├── callbacks │ │ │ ├── external_link.js │ │ │ └── show_3d.js │ │ ├── draw_mol.js │ │ ├── filter.js │ │ ├── grid_interaction.js │ │ ├── interactive.js │ │ ├── kernel.js │ │ ├── molstorage.js │ │ ├── popup.js │ │ ├── search.js │ │ └── sort.js │ └── static.html ├── utils.py └── widget.py ├── package.json ├── pyproject.toml ├── se-config.toml ├── setup.py ├── src ├── widget.css └── widget.ts ├── tests ├── __init__.py ├── conftest.py ├── test_callbacks.py ├── test_interface.py ├── test_molgrid.py ├── test_select.py ├── test_utils.py └── webdriver_utils.py ├── tsconfig.json └── uv.lock /.eslintrc.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/cbouy/mols2grid/HEAD/.eslintrc.json -------------------------------------------------------------------------------- /.github/workflows/build.yml: -------------------------------------------------------------------------------- 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