Add notebook for ABFE result analysis #235
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hannahbaumann
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IAlibay
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Oct 15, 2025
IAlibay
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Oct 15, 2025
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IAlibay
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Thanks for working on this @hannahbaumann - few comments / things to change. One thing at the start - what version of the ABFE branch was used to generate the results? Serialization changed recently because we changed the Boresch restraint settings, so that broke the ability to read old JSON files.
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@IAlibay I had changed the few settings entries, so it can still load the jsons! |
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