ProtenDiffusionGenerator_pip

Instruction for local installation:

Step 1: Create the virtual environment with basic packages

conda create -n ProteinDiffusionGenerator python=3.9 git jupyter jupyterlab dssp -c anaconda -c conda-forge -c salilab
conda activate ProteinDiffusionGenerator

Step 2: Install the ProteinDiffusionGenerator package

Download the package.

git clone https://github.com/Bo-Ni/ProtenDiffusionGenerator_pip.git

Next, install the package locally.

cd ProtenDiffusionGenerator_pip
pip install -e .

Step 3: Conduct the inference

jupyter notebook

Test model B using ./notebooks/Model_B_Inference.ipynb and model A using ./notebooks/Model_A_Inference.ipynb

Save the environment if needed

conda env export > environment.yml