Unverified Commit ceec89a6 authored by lhatsk's avatar lhatsk Committed by GitHub
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Merge branch 'aqlaboratory:main' into pr

parents 2e3e51c8 b45f6234
......@@ -125,6 +125,10 @@ where `data` is the same directory as in the previous step. If `jackhmmer`,
If you've already computed alignments for the query, you have the option to
circumvent the expensive alignment computation here.
Note that chunking (as defined in section 1.11.8 of the AlphaFold 2 supplement)
is enabled by default in inference mode. To disable it, set `globals.chunk_size`
to `None` in the config.
### Training
After activating the OpenFold environment with
......@@ -207,10 +211,6 @@ and supports the full range of training options that entails, including
multi-node distributed training. For more information, consult PyTorch
Lightning documentation and the `--help` flag of the training script.
Hardware permitting, you can train with `bfloat16` half-precision by passing
`bf16` as the `--precision` option. If you're using DeepSpeed, make sure to
enable `bfloat16` in the DeepSpeed config as well.
Note that the data directory can also contain PDB files previously output by
the model. These are treated as members of the self-distillation set and are
subjected to distillation-set-only preprocessing steps.
......
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