RoseTTAFold All-Atom is published

I suspect many people have been anticipating this, whilst AlphaFold was a great step forward in predicting protein 3D structure it did have significant limitations.

RoseTTAFold All-Atom is capable of predicting the structures of all atoms of a biological unit, including:
▪ proteins
▪ nucleic acids
▪ small molecules
▪ metals
▪ covalent modifications (covalently modified proteins)

RFdiffusionAA, builds protein structures around small molecules. Starting from random distributions of amino acid residues surrounding target small molecules. The model returns two files:

PDB file with predicted structure (bfactors represent predicted lddt at each position)
pytorch file with confidence metrics stored

The code is on GitHub although at present there are no license details.

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