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 notebookApril28sbddRanInClass.ipynb on Colab:
Click on the Colab badge to the right to open the notebook sent before class April28sbddV2:
| 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 |
- NIH: R01 CA242845
- NIH: R01 AI088011
- NIH: P30 CA225520 (PI: R. Mannel)
- NIH: P20 GM103640 and P30 GM145423 (PI: A. West)