Instructions for set up on Ubuntu 18.04 with Miniconda and Python 3.7
- Install Miniconda
- Create a conda env for the project
conda create -y -n seq_des python=3.7 anaconda
conda activate seq_des
- Install PyRosetta4 via conda
- Get a license for PyRosetta
- Add this to ~/.condarc
channels: - https://USERNAME:[email protected] - conda-forge - defaults- Install PyRosetta
conda install pyrosetta - Install PyTorch 1.1.0 with CUDA 9.0
conda install -y pytorch=1.1.0 torchvision cudatoolkit=9.0 -c pytorch
- Clone this repo
git clone https://github.com/nanand2/protein_seq_des.git
- Install Python packages
cd protein_seq_des
pip install -r requirements.txt
- Download pretrained models to current directory
unzip models.zip