An official website of the United States government
Length
Self-paced
Presenters
ATOM Team
Description
The ATOM Modeling PipeLine (AMPL) for Drug Discovery is an open-source, modular, extensible software for building and sharing models to advance in silico drug discovery.
This GitHub training (https://github.com/ATOMScience-org/AMPL) explains how to install this pipeline for model fitting and prediction. It also includes tutorial Colab (Jupyter) notebooks.
Links
Follow the below links to view individual components of the tutorial:
- Install (https://github.com/ATOMScience-org/AMPL#Install)
- Tutorials (https://github.com/ATOMScience-org/AMPL#AMPL-tutorials)
- Tests (https://github.com/ATOMScience-org/AMPL#Tests)
- AMPL features (https://github.com/ATOMScience-org/AMPL#AMPL-Features)
- Running AMPL (https://github.com/ATOMScience-org/AMPL#Running-AMPL)
- Advanced AMPL usage (https://github.com/ATOMScience-org/AMPL#Advanced-AMPL-usage)
- Advanced testing (https://github.com/ATOMScience-org/AMPL#Advanced-testing)
- Development (https://github.com/ATOMScience-org/AMPL#Development)
- Project information (https://github.com/ATOMScience-org/AMPL#Project-information)
Project
Date
February 15, 2023