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Pull requests list

Rosetta qm weights files still-making-changes
#69 opened May 6, 2024 by NooraAz • Draft
Smturzo/rosetta gamess doc update still-making-changes
#68 opened May 3, 2024 by smturzo Loading…
GAMESS Electric Fields
#67 opened May 3, 2024 by NooraAz Loading…
Geometry optimization three regions
#66 opened May 2, 2024 by NooraAz Loading…
3
changing file name for Building Documentation enhancement Ready-for-review
#65 opened May 2, 2024 by NooraAz Loading…
6
adding common issues, #1, related to issue #6396 Ready-for-review
#64 opened Apr 30, 2024 by NooraAz Loading…
Add documentation for the ParetoFront ensemble metric enhancement
#54 opened Apr 8, 2022 by vmullig Loading…
3 tasks
@vmullig
Add documentation for the PNear ensemble metric enhancement
#53 opened Mar 11, 2022 by vmullig Loading…
3 of 6 tasks
@vmullig
Adding documentation for the PrincipalComponentAnalysis EnsembleMetric enhancement
#52 opened Feb 25, 2022 by vmullig Loading…
7 tasks
@vmullig
Update documentation for EnsembleMetrics with MPI enhancement
#51 opened Feb 25, 2022 by vmullig Loading…
1 task
Add documentation for EnsembleMetrics Done and awaiting merge of another PR enhancement
#50 opened Feb 8, 2022 by vmullig Loading…
13 of 15 tasks
@vmullig
4
Add documentation for using Rosetta with QM packages enhancement still-making-changes
#48 opened Nov 17, 2021 by vmullig Loading…
9 of 37 tasks
@vmullig @brownbp1
Update Tensorflow docs to reflect change in version enhancement
#47 opened Jun 8, 2021 by vmullig Loading…
@vmullig
Document new perturber options for GeneralizedKIC and dibenzyl ether crosslinker in the CrosslinkerMover enhancement
#46 opened May 26, 2021 by vmullig Loading…
@vmullig
Updating documentation for SimpleThreadingMover.
#36 opened Sep 17, 2019 by vmullig Loading…
@vmullig
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