OpenFreeEnergy / OpenFreeEnergy/openfe

add error pass-through when validating results jsons

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@atravitz is already working on this.

Since Mar 19, 2025.

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Description

Is your feature request related to a problem? Please describe.

It might be nice to add to openfe gather this failed simulation exception pass-through that is in Industry Benchmarking:

https://github.com/OpenFreeEnergy/IndustryBenchmarks2024/blob/1cf4accc3263d1adfcb141fcfa3d28a470698f39/industry_benchmarks/utils/data_gathering.py#L549

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