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e172ccc453
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Simplify workflow: separate processes per protein, avoid filter/map chains
Split GENERATE_STRUCTURE into two explicit processes to avoid
channel filter/map/first() chains that cause StackOverflowError
in Nextflow 24.10.x
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2026-03-26 14:55:33 +01:00 |
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ce1f5dff03
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Fix StackOverflowError: use Channel.fromPath instead of Channel.fromList with file()
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2026-03-26 14:30:02 +01:00 |
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04a580a3c0
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Simplify nextflow.config for WES compatibility
Remove params block (defined in main.nf) and minimize profiles
to avoid StackOverflowError when WES injects profile.config via -C flag.
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2026-03-26 14:20:32 +01:00 |
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f776745722
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Configure bioemu for WES deployment
- Update main.nf: Harbor container image, PVC mount paths, remove containerOptions and stageInMode
- Update nextflow.config: Add k8s/k8s_gpu profiles, minimal config for WES injection
- Update params.json: Correct paths for eureka PVC
- Update Dockerfile.wes: CUDA base image for GPU support
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2026-03-26 14:11:57 +01:00 |
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ca4ceae21e
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Add WES Dockerfile and fix binding script copy path
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2026-03-26 10:50:40 +01:00 |
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83525663c9
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Implement interface-adaptive binding energy calculator
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2025-03-06 12:51:36 -08:00 |
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2cfbf64e92
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Add BioEmu Nextflow pipeline implementation
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2025-03-04 09:38:55 -08:00 |
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