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Version bump and slight README update
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README.md

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@@ -4,11 +4,13 @@ This is a convinience [Alphafold3](https://github.com/google-deepmind/alphafold3
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- Splits MSA (CPU-heavy) and structure prediction (GPU-heavy) steps and submits jobs accordingly
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- GPU jobs will be batched for efficiency. 20 predictions will be run on each GPU.
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- Parallel execution and checkpointing
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- Smart resource usage. Failed jobs will be automatically submitted again with higher resources including better GPUs when neccessary.
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- The pipeline will use GPUs with GPU compute capability > 8 to prevent problems.
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- The pipeline will use GPUs with GPU compute capability > 8 to prevent problems.
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# Usage
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export NXF_OPTS="-Xms1G -Xmx8G"
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nextflow run UnityHPC/alphafold3-batch \
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nextflow run UnityHPC/alphafold3-batch -r v0.2.0 \
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--json_dir /path/to/json_dir \
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--output_dir /path/to/results \
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--model_dir /path/to/model/dir \

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