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branch: master 「№62056」
Commited by: Moritz Ertelt
GitHub commit link: 「a6d9ba8a7d001070」 「№6456」
Difference from previous tested commit:  code diff
Commit date: 2023-11-07 12:52:15

Merge pull request #6456 from RosettaCommons/moritzertelt/libtorch_gpu Add a dedicated PyTorch GPU scons build and modify MIFST accordingly

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branch: master 「№62055」
Commited by: Rocco Moretti
GitHub commit link: 「781d02298d13e33c」 「№6457」
Difference from previous tested commit:  code diff
Commit date: 2023-11-02 11:48:21

Merge pull request #6457 from RosettaCommons/roccomoretti/mphbond Fix parse_my_tag for MP framework HBond options. It looks like there is a typo (cut&paste issue) in the parse_my_tag() function for HBondOptions which prevents people from using the XML Set subtag properly for certain mp options.

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branch: master 「№62054」
Commited by: Moritz Ertelt
GitHub commit link: 「ca57063895490314」 「№6453」
Difference from previous tested commit:  code diff
Commit date: 2023-10-30 16:47:32

Merge pull request #6453 from RosettaCommons/moritzertelt/metric_feature_IFA Add a "delta_metrics" option to the InterfaceAnalyzerMover that allows delta calculations between complex and separated state for a list of arbitrary RealMetrics

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branch: master 「№62053」
Commited by: Sergey Lyskov
GitHub commit link: 「7762b42f6486bfb5」 「№6455」
Difference from previous tested commit:  code diff
Commit date: 2023-10-30 15:10:50

Merge pull request #6455 from RosettaCommons/lyskov-patch-1 disabling releasing PyRosetta as git repository

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branch: master 「№62052」
Commited by: Moritz Ertelt
GitHub commit link: 「ee0a3d9100b89126」 「№6450」
Difference from previous tested commit:  code diff
Commit date: 2023-10-30 10:16:24

Merge pull request #6450 from RosettaCommons/moritzertelt/mifst_prediction Add a probabilities metric using the Masked Inverse Folding with Sequence Transfer (MIF-ST) model for prediction

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branch: master 「№62051」
Commited by: Sergey Lyskov
GitHub commit link: 「43d3856e1c19d690」 「№6441」
Difference from previous tested commit:  code diff
Commit date: 2023-10-16 15:48:06

Merge pull request #6441 from RosettaCommons/sergey/binder adding support for PyRosetta builds with Python-3.12

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branch: master 「№62050」
Commited by: Moritz Ertelt
GitHub commit link: 「0bdadc11a31f0a06」 「№6434」
Difference from previous tested commit:  code diff
Commit date: 2023-10-16 06:25:13

Merge pull request #6434 from RosettaCommons/moritzertelt/ml_infrastructure Adding four metrics that analyze PerResidueProbabilitiesMetrics in different ways

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branch: master 「№62049」
Commited by: Moritz Ertelt
GitHub commit link: 「9bf9bff7783faf22」 「№6439」
Difference from previous tested commit:  code diff
Commit date: 2023-10-11 03:12:47

Merge pull request #6439 from RosettaCommons/moritzertelt/sample_seq_from_probs Add support for saving, loading and using PerResidueProbabilities for design

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branch: master 「№62048」
Commited by: David P. Nannemann
GitHub commit link: 「d5d3d92cb8b89427」
Difference from previous tested commit:  code diff
Commit date: 2023-10-05 14:08:05

adding refine option to parse_my_tag of GlycanSampler mover (#6449) * added line to parse_my_tag function so "refine" option is parsed.

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branch: master 「№62047」
Commited by: David P. Nannemann
GitHub commit link: 「96fa3c54b9f6e46b」
Difference from previous tested commit:  code diff
Commit date: 2023-10-04 09:52:04

small change so that the xml schema and the parse_my_tag functions use mathcing terms. Specifically, changed "dihedral_resnums" to "dihedral_residues". No functionality should differ. (#6447)

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branch: master 「№62046」
Commited by: Moritz Ertelt
GitHub commit link: 「fd93346ab8e3317e」 「№6428」
Difference from previous tested commit:  code diff
Commit date: 2023-09-22 01:58:04

Merge pull request #6428 from RosettaCommons/moritzertelt/per_residue_probabilities_mpnn Add a PerResidueProbabilitiesMetric for ProteinMPNN

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branch: master 「№62045」
Commited by: Yang Hsia
GitHub commit link: 「8e2068a4eb74cbb1」 「№6437」
Difference from previous tested commit:  code diff
Commit date: 2023-09-19 16:00:56

Merge pull request #6437 from RosettaCommons/yhsia/ddgfilter_missing_repack_unbound hooked up `repack_unbound` in `ddGFilter.cc`

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branch: master 「№62044」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「52c4cf62073872b0」 「№6438」
Difference from previous tested commit:  code diff
Commit date: 2023-09-19 15:49:21

Merge pull request #6438 from RosettaCommons/jadolfbr/fix_pdb_load Fix Issue #6326 . Also fixes some integration tests as well.

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branch: master 「№62043」
Commited by: Frank DiMaio
GitHub commit link: 「76e2f63f750b32d5」 「№6433」
Difference from previous tested commit:  code diff
Commit date: 2023-09-11 14:01:30

Merge pull request #6433 from RosettaCommons/guangfeng/galiganddock_vsx_update GALigandDock update

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branch: master 「№62042」
Commited by: Sergey Lyskov
GitHub commit link: 「2660f2773c32e732」 「№6388」
Difference from previous tested commit:  code diff
Commit date: 2023-09-06 20:10:05

Merge pull request #6388 from RosettaCommons/klimaj/memory Reduce memory and latency of PyRosettaCluster

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branch: master 「№62041」
Commited by: Hope Woods
GitHub commit link: 「23439d33534e3f10」 「№6431」
Difference from previous tested commit:  code diff
Commit date: 2023-08-30 16:39:05

Merge pull request #6431 from RosettaCommons/woodsh17/mp_unit_test Reduce time to run membrane energy term unit test

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