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OpenDAS
OpenFold
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ceec89a6
Unverified
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ceec89a6
authored
Jan 20, 2022
by
lhatsk
Committed by
GitHub
Jan 20, 2022
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Merge branch 'aqlaboratory:main' into pr
parents
2e3e51c8
b45f6234
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ceec89a6
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@@ -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
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@@ -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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