Issues

• Merge all tdc black boxes into one.

  MachineLearningLifeScience/poli#314 · Filter by author miguelgondu opened on Jul 13, 2025

• Add uv as a backend for isolation.

  MachineLearningLifeScience/poli#313 · Filter by author miguelgondu opened on Jul 13, 2025

• Remove local registry entirely

  MachineLearningLifeScience/poli#310 · Filter by author miguelgondu opened on Jul 13, 2025

• Feature request: consider adding MMSol for solubility prediction

  MachineLearningLifeScience/poli#309 · Filter by author RMichae1 opened on Jul 4, 2025
  

• Decide a standardized input: Deal with tokenization ourselves.

  MachineLearningLifeScience/poli#305 · Filter by author miguelgondu opened on Jun 2, 2025

• environment updates/upgrades break on local registry

  bug
  Bug

  MachineLearningLifeScience/poli#302 · Filter by author RMichae1 opened on Feb 24, 2025
  1

• Feature request: CamSol to compute solubility

  enhancement
  MachineLearningLifeScience/poli#298 · Filter by author RMichae1 opened on Jan 31, 2025
  2

• Feature request MD simulations as black-box.

  enhancement
  MachineLearningLifeScience/poli#297 · Filter by author RMichae1 opened on Jan 9, 2025

• FoldX v4 discontinued, update tests and coverage

  enhancement
  MachineLearningLifeScience/poli#296 · Filter by author RMichae1 opened on Jan 2, 2025
  2

• Feature request HADDOCK

  enhancement
  MachineLearningLifeScience/poli#295 · Filter by author RMichae1 opened on Dec 17, 2024

• Float inputs [b,] fail in the is_aligned check

  MachineLearningLifeScience/poli#292 · Filter by author miguelgondu opened on Nov 22, 2024

• Stability predictor sign conformity

  MachineLearningLifeScience/poli#291 · Filter by author RMichae1 opened on Nov 22, 2024
  

• Remove biopython dependency in pyrosetta

  MachineLearningLifeScience/poli#287 · Filter by author miguelgondu opened on Nov 7, 2024

• Simplify conda environments and test them

  MachineLearningLifeScience/poli#271 · Filter by author miguelgondu opened on Oct 2, 2024

• Replace conda for mamba if the user has it installed

  MachineLearningLifeScience/poli#264 · Filter by author miguelgondu opened on Oct 1, 2024

• The pain-points of isolation and how to fix them

  MachineLearningLifeScience/poli#261 · Filter by author miguelgondu opened on Sep 26, 2024
  5

  

• The great documentation clean-up

  MachineLearningLifeScience/poli#257 · Filter by author miguelgondu opened on Sep 17, 2024 · 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.

  MachineLearningLifeScience/poli#256 · Filter by author miguelgondu opened on Sep 12, 2024

• Implement data packages for Ehrlich

  MachineLearningLifeScience/poli#254 · Filter by author miguelgondu opened on Sep 3, 2024

• If running in a cluster, some conda commands might not be available

  MachineLearningLifeScience/poli#252 · Filter by author miguelgondu opened on Aug 29, 2024

• Design constraints into the black boxes

  MachineLearningLifeScience/poli#251 · Filter by author miguelgondu opened on Aug 29, 2024
  1

• module_to_import can be wrong, but get_inner_function will still work because of the try-except

  MachineLearningLifeScience/poli#250 · Filter by author miguelgondu opened on Aug 29, 2024

• Add Absolut! as a black box (following AntBO)

  MachineLearningLifeScience/poli#244 · Filter by author miguelgondu opened on Aug 15, 2024

• Env creation doesn't work if the config file is not fresh

  MachineLearningLifeScience/poli#241 · Filter by author miguelgondu opened on Aug 9, 2024

• Add additional information (e.g. data packages or surrogates) to problems

  MachineLearningLifeScience/poli#240 · Filter by author miguelgondu opened on Aug 8, 2024
  2