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simlify

Simplify your molecular simulation workflow.

Simlify is a simulation framework built to streamline the development and execution of computational models. Whether you're working on scientific research, engineering simulations, or data-driven experiments, simlify provides the tools and flexibility you need to build, run, and analyze simulations with ease.

This project aims to reduce the complexity of setting up and managing simulation environments while providing powerful features that cater to both novice and experienced developers.

Features

  • Modular Architecture: Easily extend and customize the framework to suit your specific simulation needs.
  • Extensive Documentation: Comprehensive guides, tutorials, and API documentation to help you get started quickly and effectively.
  • Cross-Platform Support: Compatible with major operating systems including Linux and macOS.
  • Community-Driven: Open-source project with a growing community of contributors and users.

Installation

You can install simlify directly from the GitHub repository. First, clone the repository.

git clone git@github.com:scienting/simlify.git

Install simlify using pip after moving into the directory.

pip install .

This will install all dependencies and simlify into your current Python environment.

Development

We use pixi to manage Python environments and simplify the developer workflow. Once you have pixi installed, move into simlify directory (e.g., cd simlify) and install the environment using the command

pixi install

Now you can activate the new virtual environment using

pixi shell

License

This software is licensed under the Prosperity Public License 3.0.0. See LICENSE.md for full terms, including noncommercial use and 30-day commercial trial conditions.

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