Cyclic Cell Penetration Peptide prediction (CP2pred)

Prepare environment

Create conda environment

mamba env create -f environment.yml
conda activate cp2pred-env

Install pip requirements

pip install -r requirements.txt

Install pytorch and pytorch-geometric

# pip install torchmetrics
pip3 install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu118 
pip install torch_geometric
pip install opt-einsum # for grit
# Optional dependencies:
pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.0.0+cu118.html