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OpenDAS
OpenFold
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d90fa5e1
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d90fa5e1
authored
Jun 13, 2022
by
Gustaf Ahdritz
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Clarify training instructions
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d90fa5e1
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@@ -264,16 +264,19 @@ python3 train_openfold.py mmcif_dir/ alignment_dir/ template_mmcif_dir/ \
...
@@ -264,16 +264,19 @@ python3 train_openfold.py mmcif_dir/ alignment_dir/ template_mmcif_dir/ \
```
```
where
`--template_release_dates_cache_path`
is a path to the mmCIF cache.
where
`--template_release_dates_cache_path`
is a path to the mmCIF cache.
A suitable DeepSpeed configuration file can be generated with
Note that
`template_mmcif_dir`
can be the same as
`mmcif_dir`
which contains
training targets. A suitable DeepSpeed configuration file can be generated with
`scripts/build_deepspeed_config.py`
. The training script is
`scripts/build_deepspeed_config.py`
. The training script is
written with
[
PyTorch Lightning
](
https://github.com/PyTorchLightning/pytorch-lightning
)
written with
[
PyTorch Lightning
](
https://github.com/PyTorchLightning/pytorch-lightning
)
and supports the full range of training options that entails, including
and supports the full range of training options that entails, including
multi-node distributed training. For more information, consult PyTorch
multi-node distributed training, validation, and so on. For more information,
Lightning documentation and the
`--help`
flag of the training script.
consult PyTorch Lightning documentation and the
`--help`
flag of the training
script.
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
Note that, despite its variable name,
`mmcif_dir`
can also contain PDB files
subjected to distillation-set-only preprocessing steps.
or even ProteinNet .core files. To emulate the AlphaFold training procedure,
which uses a self-distillation set subject to special preprocessing steps, use
the family of
`--distillation`
flags.
## Testing
## Testing
...
...
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