ml-structure-bias

Code for "Training data composition affects performance of protein structure analysis algorithms", published at the Pacific Symposium on Biocomputing 2022

Software

For protein sequence design and estimation of model accuracy, we use the original Pytorch implementation of Geometric Vector Perceptrons from Jing et al. (2020) and Jing et al. (2021). To install GVP, clone the repo and pip install:

git clone https://github.com/drorlab/gvp-pytorch
cd gvp-pytorch
pip install -e .