https://github.com/mooerslab/vinacolab

Data Science class 2022
https://github.com/mooerslab/vinacolab

Last synced: about 1 year ago
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Data Science class 2022

• Host: GitHub
• URL: https://github.com/mooerslab/vinacolab
• Owner: MooersLab
• License: mit
• Created: 2022-04-28T13:16:46.000Z (about 4 years ago)
• Default Branch: main
• Last Pushed: 2024-05-26T08:53:51.000Z (about 2 years ago)
• Last Synced: 2025-04-01T05:42:19.406Z (about 1 year ago)
• Language: Jupyter Notebook
• Size: 1.71 MB
• Stars: 2
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
![Version](https://img.shields.io/static/v1?label=vinacolab=&message=0.2&color=brightcolor)

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

# AutoDock Vina in Colab

This is an example of utilizing AutoDock Vina for molecular docking in the cloud.

The Jupyter notebook provided here runs on Google Colab.

The first code blocks install the required software.

You need a Google Drive with some free space to run a Colab notebook.

A Google Drive of 10 GB is provided to you when you open up a Google account (i.e., a Gmail account).

Click on the Colab badge to the right to open the notebook`April28sbddRanInClass.ipynb` on Colab:

[![Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Mooerslab/vinacolab/blob/master/April28sbddRanInClass.ipynb)

Click on the Colab badge to the right to open the notebook sent before class `April28sbddV2`:

[![Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/Mooerslab/vinacolab/blob/master/April28sbddV2.ipynb)

## Update history

|Version      | Changes                                                                                                                                                                         | Date                 |

|:-----------:|:------------------------------------------------------------------------------------------------------------------------------------------:|:--------------------:|

| Version 0.2 |   Added badges, funding, and update table.                                                                                                                  | 2024 May 24         |

| Version 0.2.1 |   Expanded the description in the README.md.                                                                                                                 | 2024 May 26        |

## Sources of funding

- NIH: R01 CA242845

- NIH: R01 AI088011

- NIH: P30 CA225520 (PI: R. Mannel)

- NIH: P20 GM103640 and P30 GM145423 (PI: A. West)