OpenFreeEnergy / IndustryBenchmarks2024

Repository for the 2024 OpenFE industry benchmark efforts
https://industrybenchmarks2024.readthedocs.io/en/latest/
MIT License
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List of properties and results, we want to extract from benchmarking #28

Closed RiesBen closed 3 weeks ago

RiesBen commented 2 months ago

This is about trying to define the attributes, properties that we need to get out of the benchmarking in order to be able to use the data for many things (benchmarking analysis, building better scoreres, etc.)

I wrote an initial list and would like to get your feedback and additions

Please: https://docs.google.com/spreadsheets/d/1z7W-WxeW2OOnh2B5SaJb8sacYmN9cVE5JtV5PQdLJH4/edit?usp=sharing