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version](https://img.shields.io/pypi/v/molbokeh)](https://pypi.python.org/pypi/molbokeh) [![PyPI Downloads](https://static.pepy.tech/badge/molbokeh)](https://www.pepy.tech/projects/molbokeh) [![This project supports Python 3.8+](https://img.shields.io/badge/Python-3.8+-blue.svg)](https://python.org/downloads)\n\n\nMolBokeh is a simple package for viewing the image of molecules in interactive graphics from the Bokeh package without the need to run a web application such as flask or dash in the backend, thus facilitating integration with other tools and codes.\n\n\u003cimg src=\"https://raw.githubusercontent.com/jeffrichardchemistry/molbokeh/dev/example/content/molbokehview1.gif\" width=\"400\"/\u003e \u003cimg src=\"https://raw.githubusercontent.com/jeffrichardchemistry/molbokeh/dev/example/content/molbokehview2.gif\" width=\"400\"/\u003e\n\n# Installation\n\n```\npip3 install molbokeh\n```\n\n\n# Simple usage\n\nFor more detailed usage examples, look the notebook at `example/how_to_use.ipynb` or open in [Google Colab (Opt1)](https://colab.research.google.com/drive/1SJPolSM_ZgjTMkra5LqQpk0mC5Jomqv8#scrollTo=dBJ3u_ivn-z-), [Colab (Opt2)](https://drive.google.com/file/d/1SJPolSM_ZgjTMkra5LqQpk0mC5Jomqv8/view?usp=sharing)\n\n```python\nimport pandas as pd\nfrom MolBokeh import MolBokeh\nfrom bokeh.plotting import figure,show\nfrom bokeh.models import ColumnDataSource\n\npath = 'data.csv'\ndf = pd.read_csv(path)\n\nsource = ColumnDataSource(df)\nfig = figure(width=600, height=500,tools=\"pan,box_zoom,wheel_zoom,zoom_in,zoom_out,reset,save,hover\")\nfig.scatter(x='MolWt', y='MolLogP', source=source, size=12,alpha=0.6)\n\n## Adding molecules\nfig = MolBokeh().add_molecule(fig=fig,\n                              source=source,\n                              smilesColName='Smiles_canon',\n                              hoverAdditionalInfo=['MolWt','MolLogP','nRing','qed','TPSA'],\n                              molSize=(100,100))\nshow(fig)\n\n```\n\n\n\n### Parameters info\n\n|     **Parameter**     |                **Type**                 | **Default** | **Description**                                              |\n| :-------------------: | :-------------------------------------: | :---------: | :----------------------------------------------------------- |\n|         `fig`         |     `bokeh.plotting._figure.figure`     |  required   | Bokeh plot object created from `source(df)`                  |\n|       `source`        | `bokeh.models.sources.ColumnDataSource` |  required   | Bokeh data type used to plot initial chart.                  |\n|    `smilesColName`    |                  `str`                  |  required   | Smiles column name in dataframe used to create source object |\n| `hoverAdditionalInfo` |             `None or list`              |   `None`    | List of column names (variables) to be shown within the graphs hover. |\n|       `molSize`       |                 `tuple`                 | `(150,150)` | Size of the image of the molecule to be shown within the hover, also changes the size of the hover frame |\n\n\n\n\n\n\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjeffrichardchemistry%2Fmolbokeh","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fjeffrichardchemistry%2Fmolbokeh","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fjeffrichardchemistry%2Fmolbokeh/lists"}