changes.mady.by.user Jeffrey Wagner
Saved on Sept 02, 2022
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Item
Notes
Are we using Trello … ?
https://github.com/conda-forge/openff-fragmenter-feedstock/pull/4
https://github.com/openforcefield/openff-fragmenter/pull/148/files
Fragmenter release?
Interchange release?
~2.5 faster Interchange.to_openmm
Interchange.to_openmm
Interchange.to_top no longer horribly slow
Interchange.to_top
We need to find a way to distribute small force fields like water models. How best to do this?
openff-forcefields
scattered functions across toolkit/Interchange
Need access to NVIDIA hardware to maintain Evaluator. What’s the shortest path?
Spec out Topology.from_pdb?
Topology.from_pdb