We are pleased to announce that AlphaFold is now available on Rivanna! Here are some of our user’s first few protein structure prediction calculations on Rivanna.

Simple ZFc protein: Similar results for AlphaFold (brown) and I-TASSER (blue). (This figure was created with the RCSB Pairwise Structure Alignment tool.)

146PduD-linker-ZFc protein: AlphaFold’s (left) superior ability to predict secondary structure, a β-sheet in its green-yellow region, whereas I-TASSER (right) is not sufficiently refined to feature any β-strands. (This figure was created with NGL Viewer.)

(Credits: David Bass and Prof. Keith Kozminski, Department of Biology)

FAQ

What is AlphaFold?

AlphaFold is an AI for protein structure prediction developed by Google DeepMind. Watch DeepMind’s video or read the Nature article.

How do I use AlphaFold on Rivanna?

See here for installation and usage details. If you are a PI interested in using AlphaFold on Rivanna but do not have an account, please request an allocation.