Pushed Revisions

branch: release 「№366」
Commited by: Sergey Lyskov
GitHub commit link: 「00b79147e63be743」
Difference from previous tested commit: code diff
Commit date: 2023-12-25 16:35:48

branch: release 「№365」
Commited by: Jason C. Klima
GitHub commit link: 「9891f2c59fb544fb」「№6471」
Difference from previous tested commit: code diff
Commit date: 2023-12-05 20:48:48

Merge pull request #6471 from RosettaCommons/klimaj/switchover Update email/author for switchover

branch: release 「№364」
Commited by: Frank DiMaio
GitHub commit link: 「77416ff00d9502e2」「№6466」
Difference from previous tested commit: code diff
Commit date: 2023-11-28 13:02:54

Merge pull request #6466 from RosettaCommons/dimaio/clang15_fixes Fixes for warnings tagged by clang 15.0.0

branch: release 「№363」
Commited by: David P. Nannemann
GitHub commit link: 「5fe66cd241adb376」
Difference from previous tested commit: code diff
Commit date: 2023-11-21 12:47:25

enabling custom torsions in DihedralConstraintGenerator (#6458) * changes allow for use of custom dihedral angle with declaration of custom torsion atoms. * current functionality is maintained * Adding an integration test for the DihedralConstraintGenerator. The newly revealed functionality for specifying a custom dihedral_angle is shown to work. Previous functionality that creates constraints based on the current conformation is also shown to still function as intended.

branch: release 「№362」
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

branch: release 「№361」
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

branch: release 「№360」
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

branch: release 「№359」
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)

branch: release 「№358」
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.

branch: release 「№357」
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

branch: release 「№356」
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

branch: release 「№355」
Commited by: Vikram K. Mulligan
GitHub commit link: 「9c16e13c3cc4d3ef」「№6421」
Difference from previous tested commit: code diff
Commit date: 2023-08-18 11:32:04

Merge pull request #6421 from RosettaCommons/vmullig/update_layer_selector_xsd Update the XSD for the Layer selector. It drives me nuts having to search through the code for the default values. This fills in some "XRW TO DO" lines.

branch: release 「№354」
Commited by: Sergey Lyskov
GitHub commit link: 「1799523c1e5ce712」
Difference from previous tested commit: code diff
Commit date: 2023-08-01 14:24:20

branch: release 「№353」
Commited by: Guangfeng Zhou
GitHub commit link: 「e3ce6ea9faf661ae」「№6416」
Difference from previous tested commit: code diff
Commit date: 2023-07-07 15:00:46

Merge pull request #6416 from RosettaCommons/guangfeng/galigdock_genparams GALigandDock params generation update

branch: release 「№352」
Commited by: Rituparna Samanta
GitHub commit link: 「010564c584044eac」「№6412」
Difference from previous tested commit: code diff
Commit date: 2023-06-30 08:21:16

Merge pull request #6412 from RosettaCommons/Rituparnasamanta/membrane_ensemble_docking_modify_int_test edits on the integration test of a previously closed PR

branch: release 「№351」
Commited by: Moritz Ertelt
GitHub commit link: 「9fbc647ae7024a22」「№6313」
Difference from previous tested commit: code diff
Commit date: 2023-06-12 09:45:27

Merge pull request #6313 from RosettaCommons/moritzertelt/predict_PTM Introduces a new PTMPredictionMetric which can be used for predicting post-translational modifications.

Legend:

queued	Queued Test
queued for comparison	Test finished running but not yet compared
running	Test is Running right now
comparing	Test results is now comparing with previous results
finished	Test is finished without errors
failed	Test failed
build Failed	Test could not be run because build failed
script failed	Test results is unknow because test-script failed
canceled	Test was canceled