Participants
Goals
DD :
protein-ligand-benchmarkissue divide-and-conquer for milestone 0.3.0DD : any value in
Transformationdistinct fromProtocol? Better to remove an abstraction layer?RG :
ResultsNetwork- should individual transformations encode their ownTransformationResultwith some required attributes/fields?IA (if time allows - low priority) - towards a defined means of storing historical free energy data
Post discussions with D. Hahn, being able to store the existing OpenFF benchmark data somewhere in an easily accessible manner would be very useful for all involved.
Discussion topics
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