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.