Installation Guide

Installation Guide#

This guide covers the installation of PrxteinMPNN and its dependencies.

Requirements#

  • Python >= 3.11

  • JAX ecosystem (jax, jaxlib, flax)

  • NumPy

  • joblib

  • jaxtyping

  • foldcomp (for protein databases)

  • biotite (for structure and trajectory file handling)

  • Testing (chex, pytest, pytest-cov)

Basic Installation#

Install from source:

git clone <repository-url>
cd PrxteinMPNN
pip install -e .

Development Installation#

For development work, install with development dependencies:

pip install -e ".[dev]"

This includes tools for:

  • Testing (pytest, pytest-cov)

  • Linting (ruff)

  • Type checking (pyright)

  • Documentation (sphinx, sphinx-rtd-theme)

Verification#

Verify your installation:

import prxteinmpnn
print(prxteinmpnn.__version__)

Troubleshooting#

Common installation issues and solutions will be documented here.

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