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 nvcr.io/nvidia/pytorch:25.09-py3

3. Clone this repository and cd into it

   git clone https://github.com/NVIDIA-Digital-Bio/RNAPro
   cd ./RNAPro

4. Run Docker with an interactive shell

   docker run --gpus all -it -v $(pwd):/workspace -v nvcr.io/nvidia/pytorch:25.09-py3 /bin/bash

5. Install RNAPro

   pip install -e .

After running the above commands, you can train and run inference with RNAPro inside the container's environment.