OpenFreeEnergy/alchemiscale
Add `validate` kwarg to `AlchemiscaleClient.create_network`; use process pool if possible
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#490 opened on 2026/03/17
component-user-clientgood first issue
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説明
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.