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Revisions №419

branch: rosetta:release 「№419」
Commited by: Hugh Haddox
GitHub commit link: 「fe4ca844869396f4」
Difference from previous tested commit:  code diff
Commit date: 2025-12-12 15:03:55
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta.unit icc.icc.build.debug mysql postgres mpi mpi.serialization OpenCL build.header build.levels static serialization performance profile m1.clang.python310.release.PyRosetta.MinSizeRel m1.clang.python311.release.PyRosetta.MinSizeRel m1.clang.python312.release.PyRosetta.MinSizeRel m1.clang.python313.release.PyRosetta.MinSizeRel m1.clang.python314.release.PyRosetta.MinSizeRel m1.clang.python39.release.PyRosetta.MinSizeRel mac.clang.python310.release.PyRosetta.MinSizeRel mac.clang.python311.release.PyRosetta.MinSizeRel mac.clang.python312.release.PyRosetta.MinSizeRel mac.clang.python313.release.PyRosetta.MinSizeRel mac.clang.python314.release.PyRosetta.MinSizeRel mac.clang.python39.release.PyRosetta.MinSizeRel ubuntu.clang.python310.release.PyRosetta.MinSizeRel ubuntu.clang.python311.release.PyRosetta.MinSizeRel ubuntu.clang.python312.release.PyRosetta.MinSizeRel ubuntu.clang.python313.release.PyRosetta.MinSizeRel ubuntu.clang.python314.release.PyRosetta.MinSizeRel ubuntu.clang.python37.release.PyRosetta.MinSizeRel ubuntu.clang.python38.release.PyRosetta.MinSizeRel ubuntu.clang.python39.release.PyRosetta.MinSizeRel m1.clang.cxx11thread.serialization.python310.release.PyRosetta.Release m1.clang.cxx11thread.serialization.python311.release.PyRosetta.Release m1.clang.cxx11thread.serialization.python312.release.PyRosetta.Release m1.clang.cxx11thread.serialization.python313.release.PyRosetta.Release m1.clang.cxx11thread.serialization.python314.release.PyRosetta.Release m1.clang.cxx11thread.serialization.python39.release.PyRosetta.Release m1.clang.python310.release.PyRosetta.Release m1.clang.python311.release.PyRosetta.Release m1.clang.python312.release.PyRosetta.Release m1.clang.python313.release.PyRosetta.Release m1.clang.python314.release.PyRosetta.Release m1.clang.python39.release.PyRosetta.Release mac.clang.cxx11thread.serialization.python310.release.PyRosetta.Release mac.clang.cxx11thread.serialization.python311.release.PyRosetta.Release mac.clang.cxx11thread.serialization.python312.release.PyRosetta.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.Release mac.clang.cxx11thread.serialization.python314.release.PyRosetta.Release mac.clang.cxx11thread.serialization.python39.release.PyRosetta.Release mac.clang.python310.release.PyRosetta.Release mac.clang.python311.release.PyRosetta.Release mac.clang.python312.release.PyRosetta.Release mac.clang.python313.release.PyRosetta.Release mac.clang.python314.release.PyRosetta.Release mac.clang.python39.release.PyRosetta.Release ubuntu-20.04.clang.cxx11thread.serialization.python314.release.PyRosetta.Release ubuntu.clang.cxx11thread.serialization.python310.release.PyRosetta.Release ubuntu.clang.cxx11thread.serialization.python311.release.PyRosetta.Release ubuntu.clang.cxx11thread.serialization.python312.release.PyRosetta.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.Release ubuntu.clang.cxx11thread.serialization.python39.release.PyRosetta.Release ubuntu.clang.python310.release.PyRosetta.Release ubuntu.clang.python311.release.PyRosetta.Release ubuntu.clang.python312.release.PyRosetta.Release ubuntu.clang.python313.release.PyRosetta.Release ubuntu.clang.python314.release.PyRosetta.Release ubuntu.clang.python37.release.PyRosetta.Release ubuntu.clang.python38.release.PyRosetta.Release ubuntu.clang.python39.release.PyRosetta.Release m1.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python311.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python312.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python314.release.PyRosetta.conda.Release m1.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python311.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python312.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python314.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python38.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python39.release.PyRosetta.conda.Release ubuntu-20.04.clang.cxx11thread.serialization.python314.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python310.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python311.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python312.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release 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Add beta_jan25 energy function (#548) The aim of this PR is to add `beta_jan25` to the `rosetta` source code. This is an updated version of `beta_nov16`. We will shortly post a manuscript describing how we developed `beta_jan25`. They key updates are to the LJ potential. We identified steric clashing in proteins that were relaxed or designed using `beta_nov16`. We identified examples of this problem in a high-quality benchmark from the `dualoptE` protocol used to train the energy function. We then used this benchmark, and the others in `dualoptE`, to refit a small number of LJ parameters. The refitting largely eliminated the clashing problem, and `beta_jan25` is as good or better than `beta_nov16` when assessed on multiple benchmarks using validation data. Frank also advised me that -gen_potential should stay the same (on top of beta_nov16), and we decided to have plain -beta invoke beta_jan25.

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