https://github.com/simonboothroyd/plotmol

Interactive plotting of data annotated with molecule structures.
https://github.com/simonboothroyd/plotmol

Last synced: 2 months ago
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Interactive plotting of data annotated with molecule structures.

• Host: GitHub
• URL: https://github.com/simonboothroyd/plotmol
• Owner: SimonBoothroyd
• License: mit
• Created: 2021-02-18T12:47:26.000Z (almost 4 years ago)
• Default Branch: main
• Last Pushed: 2023-11-30T22:42:58.000Z (about 1 year ago)
• Last Synced: 2023-11-30T23:29:33.394Z (about 1 year ago)
• Language: Python
• Homepage:
• Size: 80.1 KB
• Stars: 10
• Watchers: 1
• Forks: 4
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# Interactive Plots with Molecular Annotations

[![Test Status](https://github.com/simonboothroyd/plotmol/actions/workflows/ci.yaml/badge.svg?branch=main)](https://github.com/simonboothroyd/plotmol/actions/workflows/ci.yaml)

[![codecov](https://codecov.io/gh/SimonBoothroyd/plotmol/branch/main/graph/badge.svg?token=Aa8STE8WBZ)](https://codecov.io/gh/SimonBoothroyd/plotmol)

[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)

This framework provides a set of functionalities for creating interactive plots that are annotated with molecular 

structures using the [`bokeh` library](https://docs.bokeh.org/en/latest/index.html).

## Installation

The package and its dependencies can be installed using the `conda` package manager:

```shell

conda install -c conda-forge plotmol

```

## Getting Started

See the [examples](examples) directory for an example of this framework in use.

## Development

A development conda environment can be created and activated by running:

```shell

make env

conda activate plotmol

```

The environment will include all example and development dependencies, including linters and testing apparatus.

Unit / example tests can be run using:

```shell

make test

make test-examples

```

The codebase can be formatted by running:

```shell

make format

```

or checked for lint with:

```shell

make lint

```

## License

The main package is release under the [MIT license](LICENSE). 

## Copyright

Copyright (c) 2023, Simon Boothroyd