Known Issues

December 13, 2024 ยท View on GitHub

Numerical performance for CUDA Capability 7.x GPUs

All CUDA Capability 7.x GPUs (e.g. V100) produce obviously bad output, with lots of clashing residues (the clashes cause a ranking score of -99 or lower), unless the environment variable XLA_FLAGS is set to include --xla_disable_hlo_passes=custom-kernel-fusion-rewriter.

Incorrect handling of two-letter atoms in SMILES ligands

Between commits https://github.com/google-deepmind/alphafold3/commit/f8df1c7 and https://github.com/google-deepmind/alphafold3/commit/4e4023c, AlphaFold 3 handled incorrectly any two-letter atoms (e.g. Cl, Br) in ligands defined using SMILES strings.