torresmateo / GProt

Geometric embedding of proteins with neural networks

GProt

Geometric embedding of proteins with neural networks

Environment setup

Ideally, create a new virtual environment:

python -m venv gprot
source gprot/bin/activate

1. Install pytorch:
   • on linux:

   pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu118

   • macOS (Apple silicon)

   pip3 install torch torchvision torchaudio
   

   • Windows: not supported, but you can probably run the Docker image or install it somewhat natively using WSL
2. install rest of requirements:

   pip install -r requirements.txt