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add simplefold job type#101

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ckouder wants to merge 9 commits intomainfrom
feat/add-simplefold-job
Open

add simplefold job type#101
ckouder wants to merge 9 commits intomainfrom
feat/add-simplefold-job

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@ckouder ckouder commented Feb 6, 2026

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ckouder and others added 9 commits February 6, 2026 11:04
Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
Change job type value from "ml-simplefold" to "mlsimplefold" across config,
enum, and service files. Fix upload_local_directory_to_minio to use an
explicit minio_prefix instead of inferring the remote path from the last
2 local path components, which dropped the job_id in recursive uploads.

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
@ckouder ckouder marked this pull request as ready for review February 10, 2026 19:58
@ckouder ckouder requested a review from matthewberry February 20, 2026 22:31
@bodom0015 bodom0015 self-requested a review March 2, 2026 20:28
@ckouder ckouder requested review from David-Bianchi and bodom0015 and removed request for bodom0015 March 2, 2026 20:28
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Sorry for my delay on getting this reviewed, but this is looking great! 🙏

I was unable to deploy and test this on staging since I don't want to mess with ezspec-unidock in case anyone is testing right now. But if I should give the job itself another test before merging, I can coordinate with you and David to make sure I'm not changing things at a critical moment


Unrelated: I noticed ArgoCD has a weird diff for mmli-backend-staging that I hadnt noticed before 🤔
Image

But this doesnt actually seem to be a problem, since we never override this value anyways.. so it is likely that it is not currently being read. And reading the code confirms that mmli-backend just assumes the namespace of all job types is the namespace that it is currently running in. It appears to fall back to the default in the config only for local dev situations where the current namespace can't be determined 👍

def get_namespace():
# When running in a pod, the namespace should be determined automatically,
# otherwise we assume the local development is in the default namespace
try:
with open('/var/run/secrets/kubernetes.io/serviceaccount/namespace', 'r') as file:
namespace = file.read().replace('\n', '')
except:
namespace = app_config['kubernetes_jobs']['defaults']['namespace']
return namespace

job_type_name = 'OpenEnzymeDB - Enzyme Recommendation'

elif job_type == JobType.ML_SIMPLEFOLD:
# SimpleFold jobs don't have a frontend URL yet - skip email for now
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May need to circle back to fill out the email on success/failure eventually

But this is kind of an internal job, so maybe we don't need to notify at all on this one?

initContainers:
- name: init
image: moleculemaker/mmli-backend:kubejob
image: moleculemaker/mmli-backend:pr-101
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Good eye on this! Sorry, I forgot that I had hardcoded these image tags 🙏

We may need to remember to circle back and update these after merging the PR

containers:
- name: post-job
image: "moleculemaker/mmli-backend:kubejob"
image: "moleculemaker/mmli-backend:pr-101"
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Good eye on this! Sorry, I forgot that I had hardcoded these image tags 🙏

We may need to remember to circle back and update these after merging the PR

@David-Bianchi
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Hi @bodom0015! Thanks for taking a look at this. If I am still working on a few things in ezspecificity-gpu-test, will that cause problems if you merge? Or should I have everything squared away with that before we merge.

Thanks Bingji for all of your work on this one.

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3 participants