docker_installation.md

Run with Docker

1. Install Docker (with GPU Support)

   Ensure that Docker is installed and configured with GPU support. Follow these steps:

   • Install Docker if not already installed.
   • Install the NVIDIA Container Toolkit to enable GPU support.
   • Verify the setup with:

     docker run --rm --gpus all nvidia/cuda:12.1.0-base-ubuntu22.04 nvidia-smi

2. Pull the Docker image, which was built based on this Dockerfile

   docker pull ai4s-cn-beijing.cr.volces.com/infra/protenix:v0.0.1

3. Clone this repository and cd into it

   git clone https://github.com/bytedance/protenix.git 
   cd ./protenix
   pip install -e .

4. Run Docker with an interactive shell

   docker run --gpus all -it -v $(pwd):/workspace -v /dev/shm:/dev/shm ai4s-cn-beijing.cr.volces.com/infra/protenix:v0.0.1 /bin/bash

After running above commands, you’ll be inside the container’s environment and can execute commands as you would on a normal Linux terminal.