PyroSys: A dynamic framework for PYthon based computational pROtein SYStems biology.
PyroSys is an open-source Python framework that ignites new possibilities in computational structural biology. Just as pyrophosphate bonds drive the energetics of biological systems, PyroSys powers the analysis of protein structures and their dynamic interactions through an integrated systems biology approach.
PyroSys bridges the gap between traditional deep learning domains (CV/NLP) and protein structure prediction, making it simpler to transfer your expertise to this exciting field.
- 🔥 Ready-to-use Implementations: PyroSys provides a set of state-of-the-art protein structure prediction models that can be easily integrated into your own projects.
- 🚀 Accelerated Development: Focus on your innovative ideas rather than struggling with protein-specific implementation details. PyroSys provides a high-level API that abstracts away the complexities of protein structure encoding and decoding.
- ⚙️ Flexible Customization: PyroSys provides a modular design that allows you to easily customize the models and training procedures to fit your specific needs.
- 🔬 Researchers: We aim to provide biologists the most easy to use and effective tools for protein structure prediction and generation with state-of-the-art models and commercially-free licenses.
- 🛠️ Developers: You can easily build your own protein structure prediction models with PyroSys transitioning from CV/NLP to protein structure prediction.
- 🎓 Students: You can learn about computational biology and deep learn.
PyroSys is avaliable on PyPI and conda-forge. We recommend using conda to install PyroSys.
TODO! Update conda installation, for Helixon users, we need to use source code installation right now.
conda install -c conda-forge -c pytorch -c nvidia pytorch pytorch-cuda pyrosysConda based installation is recommended. If you want to install the latest version or you want to contribute to PyroSys, please refer to the Installation Guide.
We welcome contributions! Whether it's:
- Adding new model implementations
- Reporting bugs and issues
- Fixing typos and improving documentation
- Providing feedback and suggesting features
Check our Contributing Guide to get started!
To help you get and your AI agent started with development using PyroSys, we provide detailed documentation:
- 🏗️ Architecture Guide: Understand the system design and core components.
- ✨ Features Documentation: Learn about available features and how to implement your own models.
These documents are essential reading for:
- Building custom protein structure prediction models
- Understanding the framework's design principles
- Implementing new features and extensions
- Making the most of PyroSys's AI capabilities