OpenFreeEnergy/alchemiscale

Add `validate` kwarg to `AlchemiscaleClient.create_network`; use process pool if possible

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#490 opened on Mar 17, 2026

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Description

It's currently possible for users to submit AlchemicalNetworks with malformed Transformations, resulting in failures downstream in compute. We are addressing the downstream issue with a guardrail in #195, but it would be useful to catch this earlier, perhaps on submission.

We propose adding a validate kwarg to AlchemiscaleClient.create_network that runs Transformation.validate() on each transformation in the network, perhaps in parallel using a process pool for speed.

Contributor guide

Research direction
Examine the `AlchemiscaleClient.create network` method in the client code. Understand the signature and how transformations are currently handled. Look at `Transformation.validate()` to see what validation is needed. Implement the `validate` keyword argument, using a multiprocessing pool for parallel validation if beneficial. Write tests to cover the new argument.
Tech stack
python
Domain
backend
Issue type
Feature
DifficultyEstimated implementation difficulty for a new contributor, from 1 for very small changes to 5 for expert-level work.
2
Estimated timeA rough time range for an experienced contributor to investigate, implement, test, and prepare a pull request.
1-3 hours
Activity statusHow available the issue appears right now: fresh, active, stale, blocked, or waiting on maintainer input.
Active
ClarityHow clearly the issue explains the expected change, acceptance criteria, and next step.
Clear
Prerequisites
PythonGit
Newbie friendlinessA 1-100 score estimating how approachable this issue is for first-time contributors.
65