39 lines
888 B
Plaintext
39 lines
888 B
Plaintext
// Manifest for Nextflow metadata
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manifest {
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name = 'BioEmu-Nextflow'
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author = 'Generated from BioEmu repository'
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homePage = 'https://github.com/microsoft/bioemu'
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description = 'Nextflow pipeline for BioEmu - Biomolecular Emulator for protein structure sampling'
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mainScript = 'main.nf'
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version = '1.0.0'
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}
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// Global default parameters
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params {
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fasta = "/mnt/OmicNAS/private/old/olamide/bioemu/input/villin_headpiece.fasta"
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outdir = "/mnt/OmicNAS/private/old/olamide/bioemu/output"
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cache_dir = "/mnt/OmicNAS/private/old/olamide/bioemu/cache"
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num_samples = 10
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batch_size_100 = 10
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}
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// Container configurations
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docker {
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enabled = true
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runOptions = '--gpus all'
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}
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// Process configurations
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process {
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cpus = 1
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memory = '8 GB'
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}
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// Execution configurations
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executor {
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$local {
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cpus = 4
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memory = '8 GB'
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}
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}
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