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Add parameter to provide multiple sequence alignment directory to Chai-1 #14

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merged 23 commits into from
Dec 2, 2024
Merged

Add parameter to provide multiple sequence alignment directory to Chai-1 #14

merged 23 commits into from
Dec 2, 2024

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FloWuenne
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  • Added msa parameter to provide precomputed multiple sequence alignments in .pqt format
  • Added GPU support for apptainer
  • Added specific hardware requirements for CHAI_1 process instead of process_large
  • Fixed dev back to work like main
  • Reversed device definition, as the new one didn't work on CPU only machines

@drpatelh drpatelh changed the title Add Multiple sequence alignment (msa) directory param + fix dev Add parameter to provide multiple sequence alignment directory to Chai-1 Dec 2, 2024
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drpatelh commented Dec 2, 2024

Need to add some docs for --msa_dir

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drpatelh approved these changes Dec 2, 2024
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@drpatelh drpatelh merged commit 17a6f52 into dev Dec 2, 2024
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@drpatelh drpatelh deleted the add_msa_param branch December 2, 2024 15:44
@FloWuenne FloWuenne mentioned this pull request Dec 2, 2024
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@drpatelh drpatelh drpatelh approved these changes

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