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49 Open 77 Closed
49 Open 77 Closed
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Issues list

Feature request MD simulations as black-box. enhancement New feature or request
#297 opened Jan 9, 2025 by RMichae1
FoldX v4 discontinued, update tests and coverage bug Something isn't working
#296 opened Jan 2, 2025 by RMichae1
1
Feature request HADDOCK enhancement New feature or request
#295 opened Dec 17, 2024 by RMichae1
Float inputs [b,] fail in the is_aligned check
#292 opened Nov 22, 2024 by miguelgondu
Stability predictor sign conformity
#291 opened Nov 22, 2024 by RMichae1
@RMichae1
Remove biopython dependency in pyrosetta
#287 opened Nov 7, 2024 by miguelgondu
Simplify conda environments and test them
#271 opened Oct 2, 2024 by miguelgondu
Replace conda for mamba if the user has it installed
#264 opened Oct 1, 2024 by miguelgondu
The pain-points of isolation and how to fix them
#261 opened Sep 26, 2024 by miguelgondu
@miguelgondu @SimonBartels
5
The great documentation clean-up
#257 opened Sep 17, 2024 by miguelgondu
2 tasks
1.0.0 - New observer interface, several black boxes for proteins, and simpler isolation mechanisms
Implement ways of combining black boxes: __mult__ and __add__ and so on.
#256 opened Sep 12, 2024 by miguelgondu
Implement set of DMS experiment results as static optimization problems
#255 opened Sep 12, 2024 by RMichae1
@RMichae1
4
Implement data packages for Ehrlich
#254 opened Sep 3, 2024 by miguelgondu
If running in a cluster, some conda commands might not be available
#252 opened Aug 29, 2024 by miguelgondu
Design constraints into the black boxes
#251 opened Aug 29, 2024 by miguelgondu
4 tasks
1
module_to_import can be wrong, but get_inner_function will still work because of the try-except
#250 opened Aug 29, 2024 by miguelgondu
Add Absolut! as a black box (following AntBO)
#244 opened Aug 15, 2024 by miguelgondu
4 tasks
Env creation doesn't work if the config file is not fresh
#241 opened Aug 9, 2024 by miguelgondu
Add additional information (e.g. data packages or surrogates) to problems
#240 opened Aug 8, 2024 by miguelgondu
2
Bring back register_problem
#239 opened Aug 8, 2024 by miguelgondu 1.0.0 - New observer interface, several black boxes for proteins, and simpler isolation mechanisms
Add a multivariate version of ehrlich
#238 opened Aug 7, 2024 by miguelgondu
GFP CBas requires tf eager execution on import, take out compat behavior
#234 opened Aug 6, 2024 by RMichae1
Registation of private objectives
#228 opened Aug 1, 2024 by miguelgondu
Keep poli versions updated for the user (?)
#219 opened Jul 18, 2024 by miguelgondu
1
Clone shallow repos
#209 opened Jul 8, 2024 by miguelgondu
ProTip! no:milestone will show everything without a milestone.