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Integrate GDI inference store with CLI #1190

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merged 13 commits into from
Oct 24, 2024
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nicholas-kondal
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@nicholas-kondal nicholas-kondal commented Jul 7, 2024

  • Have you followed the guidelines in our Contribution Guide
  • Have you written new tests for your core changes, as applicable?
  • Have you successfully ran tests with your changes locally?

Description

Allow precalculations to be read from Ersilia's AWS cloud environment via https://github.com/ersilia-os/model-inference-pipeline

Status

  • Select the source of outputs during model serving
  • Upload input molecules to the cloud and retrieve ecalculations via a secure S3 download link
  • Provide warnings and errors in case models and/or precalculations are not currently present in the cloud

To do

See ersilia-os/model-inference-pipeline#32 for next steps

DhanshreeA and others added 2 commits July 26, 2024 17:30
* WIP Add session management utils

* Create a session at ersilia cli initialization

* Remove unused code

* start an ersilia session in a dedicated sessions dir that is mapped to the parent process' id which ran the given ersilia command, this will generally be a shell process inside a terminal, but it can also be a process from a bash script

* declare session specific defaults

* Run all ersilia commands within a single process during standard example run, otherwise ersilia run command does not find a served model bec of running in a different process and therefore in a different session

* Move the currently served model's pid to its dedicated session directory

* WIP Logging

* Redirect tmp logs to model's session logs

* catch permission error

* Redirect tmp logs to model's session logs

* don't use ersilia exception management because we don't exactly want the ersilia process to exit
@miquelduranfrigola
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@DhanshreeA and @kartikey-vyas - plesae let me know when will this be ready for merge?

@kartikey-vyas kartikey-vyas marked this pull request as ready for review October 20, 2024 05:41
@kartikey-vyas
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We are ready for review here, with the IaC written in the model inference repo

@miquelduranfrigola
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@Abellegese @DhanshreeA we need to merge this PR. There are conflicts with the api.py, probably due to the latest changes from @Abellegese . Let's try to resolve these conflicts. Many thanks!

@DhanshreeA
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@miquelduranfrigola we have actually removed the ersilia/cli/commands/api.py file during the process of removing the api command from the CLI in favor of only keeping the run command. Ref: #1263

I'll remove that file from this PR, and review it. cc: @kartikey-vyas hope the inference pipeline doesn't rely on this command?

@DhanshreeA DhanshreeA merged commit b270134 into master Oct 24, 2024
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@DhanshreeA DhanshreeA deleted the inference-store-integration branch October 24, 2024 06:56
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4 participants