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Expose additional Chai-1 parameters in the pipeline #11

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merged 9 commits into from
Nov 28, 2024

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FloWuenne
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@FloWuenne FloWuenne commented Nov 28, 2024

  • Added params num_trunk_recycles, num_diffn_timesteps, seed and use_esm_embeddings so they can be modified via Nextflow
  • Update nextflow_schema.json and hide these new parameters in Platform

drpatelh and others added 4 commits November 20, 2024 15:38
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
@FloWuenne FloWuenne changed the title Exposed additional chai-1 parameters to Nextflow. Add additional parameters from chai-1 to nextflow config Nov 28, 2024
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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 ?

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@drpatelh drpatelh changed the base branch from main to dev November 28, 2024 13:14
@drpatelh drpatelh merged commit de649d7 into seqeralabs:dev Nov 28, 2024
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@drpatelh drpatelh changed the title Add additional parameters from chai-1 to nextflow config Expose additional Chai-1 parameters in the pipeline Nov 28, 2024
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2 participants