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General updates | OFFTK 0.11.2, 0.11.3 release - No radicals, update for new pint
Almost ready to bring our fitting stack forward to biopolymer toolkit, just need a forcebalance release.
Followup workshops are complete! Two of them (PTMs and interchange) are up on youtube and zenodo. One more is being edited for upload.
The OpenMM 8 beta is available. Feel free to check it out. No major API changes as far as I can tell, seems to mostly be adding ML stuff.
Chapin’s “null model” fit converged - Includes peptide training data but no protein-specific parameters
We’re continuing work with OpenFE and the Chodera lab to make the F@H interface. Tentative deadline is next Tues, though that may be pushed back again.
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