28 lines (21 loc) · 575 Bytes

Implementation of a protein complex analysis and interface design pipeline

Main code for analysis and design: interface.ipynb
Slides can be found in Presentaion.pdf

Requierements

You need to have a pyrosetta wheel file available.
https://graylab.jhu.edu/download/PyRosetta4/archive/release/

Setup

Install dependencies using uv.

Install uv

# Install uv
curl -LsSf https://astral.sh/uv/install.sh | sh

Edit the pyrosetta wheel path in pyproject.toml
Install dependencies

# Setup venv
uv sync

Overview