Participants: David Mobley Hyesu Jang Lee-Ping Wang Christopher Bayly Daniel Smith (Deactivated) Jessica Maat (Deactivated)
Discussion:
DLM: Quantify diversity using graph similarity then eventually incorporate WBO
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DS: We are running 1000 torsion drives for Silicon Therapeutics in QCA. It could be a good data set to use for upcoming fitting, although we might want to consider running Fragmenter on the data set.
DLM: We should make sure to consider updating the benchmark training data set for trainingfuture releases.