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Expose additional Chai-1 parameters in the pipeline #11
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First pass updates to simplify pipeline template for nf-chai use case
Add chai-1 functionality to the main branch
Add --weights_dir and reports file
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cat <<-END_VERSIONS > versions.yml | ||
"${task.process}": | ||
python: \$(python --version | sed 's/Python //g') |
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Why did you remove this @FloWuenne ?
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Don't remember removing this, must have been accidental, sorry!
chai_lab: \$(python -c "import chai_lab; print(chai_lab.__version__)") | ||
torch: \$(python -c "import torch; print(torch.__version__)") |
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Why did you remove this @FloWuenne ?
num_trunk_recycles
,num_diffn_timesteps
,seed
anduse_esm_embeddings
so they can be modified via Nextflow