Item | Notes |
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General updates | MT – Status of OFFTK release candidate package? JW – ETA unknown, I haven’t made any progress on topology refactor in the past two weeks, and further code changes are needed. MT – I’m going to update Interchange’s master branch to be compatible only with OFFTK>=0.12. I’ll be careful with dependency/version pins, but I don’t really plan on any main label conda packages anyway.
JW – Looking ahead, one big unknown item effort-wise is how much work the protein benchmarking workflows will be. There’s a chance that it will be super simple, and that Chapin’s prototypes will cover everything. There’s also a chance that it will be a huge project that requires a lot of our time - I’ve worked with toolks like shiftX before and they’re quite opaque.
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PR clearance | |
Interchange adoption planning cleanup | |