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SOF-8043: Gr/Ni(111) registry and separation simulation notebook
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SOF-8043: fix review findings in the Gr/Ni(111) simulation notebook
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SOF-8039: AFIR reaction path with MACE through NVIDIA ALCHEMI
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SOF-8039: pin the CUDA build of torch
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fix: name the stdout file instead of taking the first .out in the job
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