APS March 2023: Covalent Workshop

This repository contains materials for the Covalent workshop hosted at APS March 2023, Las Vegas, Nevada.

🤔 What is Covalent?

Covalent is a Pythonic workflow tool that makes it easy to run and monitor reproducible experiments on a distributed patchwork of local and/or remote resources. Accessing HPC clusters, quantum computers, and other cloud services with Covalent requires little more than adding a handful of decorators to your existing codebase.

Please see the links below for more information.

🔗 Quick Links

Covalent

If you enjoy this workshop, please support the project by starring the GitHub repository! 😎

• GitHub ⭐️
• Website
• Documentation
• Tutorials

Workshop

• Jupyter notebook
• Slides PDF
• Minimal Covalent example

💻 Setup Instructions

NOTE: Setup requires a working conda installation.

Follow the steps below to set up a local environment for this workshop.

1. Download or clone this repository:

git clone https://github.com/AgnostiqHQ/tutorials_covalent_aps_march_2023/tree/main/code_examples/covalent_101

2. Navigate to the root directory (tutorials_covalent_aps_march_2022) on your local filesystem.

3. Create new conda environment:

conda env create -f environment.yml

5. Activate the new conda environment:

conda activate aps_march_covalent

6. Start the Covalent server:

covalent start

7. Start Jupyter Notebook:

jupyter notebook