Commit d90fa5e1 authored by Gustaf Ahdritz's avatar Gustaf Ahdritz
Browse files

Clarify training instructions

parent 096c68ea
...@@ -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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