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June 2019 Training reaction fixing hackathon

Open mjohnson541 opened this issue 6 years ago • 0 comments
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Hackathon had two objectives:

  1. Remove unreasonable high rates that prevented us from setting a bounds on rates within each family for filtering
  2. Remove unnecessary duplicate reactions from the database

Emergent considerations: Removing GAV estimate training reactions Removing training reactions with small temperature ranges

Once this PR is ready to be merged remember to remove the filter threshold caps in RMG-Py. The cap values are the old filter threshold values and introduced to avoid slowdown of RMG if the "high-pressure" Arrhenius fits are unreasonably high based on the current RMG-database master.

mjohnson541 avatar Jun 16 '19 19:06 mjohnson541