Optimizing OpenFold Training for Drug Discovery

Originally published at: https://developer.nvidia.com/blog/optimizing-openfold-training-for-drug-discovery/

Predicting 3D protein structures from amino acid sequences has been an important long-standing question in bioinformatics. In recent years, deep learning–based computational methods have been emerging and have shown promising results.  Among these lines of work, AlphaFold2 is the first method that has achieved results comparable to slower physics-based computational methods. It was named Method…