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[BUG] System instantiation fails is perturbed system is missing molecule0 or molecule1 properties #248

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lohedges opened this issue Feb 22, 2024 · 0 comments
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[BUG] System instantiation fails is perturbed system is missing molecule0 or molecule1 properties #248

lohedges opened this issue Feb 22, 2024 · 0 comments
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bug Something isn't working exscientia Related to work with Exscientia

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Currently the instantiation of a perturbable system fails if the Sire system is missing molecule0 and molecule1 properties. These are not strictly needed since they can be recovered by extracting the end states from the perturbable molecule(s).
@lohedges lohedges added bug Something isn't working exscientia Related to work with Exscientia labels Feb 22, 2024
@lohedges lohedges self-assigned this Feb 22, 2024
@lohedges lohedges mentioned this issue Feb 22, 2024
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