PIONEER2.0 is a geometric deep learning-based framework that predicts protein-protein interfaces by integrating structural homologs.
After cloning the repository, please run the following command lines for the installation of environments:
conda create -n pioneer2.0 python=3.9
conda activate pioneer2.0
conda install numpy=1.26.4
conda install pandas=2.2.3
conda install -c bioconda cd-hit=4.8.1
conda install -c pytorch pytorch=1.4.0 cudatoolkit=10.1
pip install torchvision==0.5.0
conda install -c pytorch pytorch=1.12.1 torchvision=0.13.1 torchaudio=0.12.1 cudatoolkit=11.3
conda install -c dglteam dgl-cuda11.3
conda install -c conda-forge scikit-learn=0.24.2
conda install -c conda-forge biopython=1.79
conda install -c salilab dssp=3.0.0
conda install -c bioconda cd-hit=4.8.1 msms=2.6.1