Commit 8ffec72a authored by Gustaf Ahdritz's avatar Gustaf Ahdritz
Browse files

Merge branch 'main' of https://github.com/aqlaboratory/openfold into chunking_experiment

parents 6ce8cfe3 b45f6234
...@@ -125,6 +125,10 @@ where `data` is the same directory as in the previous step. If `jackhmmer`, ...@@ -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 If you've already computed alignments for the query, you have the option to
circumvent the expensive alignment computation here. 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 ### Training
After activating the OpenFold environment with After activating the OpenFold environment with
...@@ -207,10 +211,6 @@ and supports the full range of training options that entails, including ...@@ -207,10 +211,6 @@ and supports the full range of training options that entails, including
multi-node distributed training. For more information, consult PyTorch multi-node distributed training. For more information, consult PyTorch
Lightning documentation and the `--help` flag of the training script. 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 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 the model. These are treated as members of the self-distillation set and are
subjected to distillation-set-only preprocessing steps. subjected to distillation-set-only preprocessing steps.
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