Code

Filter update#67

Code

Merged

frederik-sandfort1 merged 29 commits intomainbasf/MolPipeline:mainfrom filter_updatebasf/MolPipeline:filter_updateCopy head branch name to clipboardOct 14, 2024

+1,139-122

Commits

Commits on Aug 19, 2024

• remove unnecessary inits and refactor

  frederik-sandfort1

  committed
  fa27bfd

Commits on Aug 20, 2024

• include smarts filter, smiles filter, descriptors filter

  frederik-sandfort1

  committed
  b706268

• Fix wrong typing that caused thousands of type ignores

  frederik-sandfort1

  committed
  476d65a

• linting and fix element number test

  frederik-sandfort1

  committed
  f14b71a

Commits on Aug 21, 2024

• Merge branch 'main' into filter_update

  frederik-sandfort1

  committed
  e3f5d2d

• reset name typing

  frederik-sandfort1

  committed
  c352144

Commits on Aug 22, 2024

• Christians first review

  frederik-sandfort1

  committed
  5c95f81

• more changes

  frederik-sandfort1

  committed
  16088db

• linting

  frederik-sandfort1

  committed
  b2ca26d

• pylint

  frederik-sandfort1

  committed
  81ffb7c

• rewrite filter logic (#71)

  c-w-feldmann

  authored
  9fed198

• Combine filters with one base logic

  frederik-sandfort1

  committed
  f49cb70

• change dict to Mapping

  c-w-feldmann

  committed
  91feed1

Commits on Aug 26, 2024

• Merge branch 'main' into filter_update

  frederik-sandfort1

  committed
  1d70f17

• isort

  frederik-sandfort1

  committed
  93e6183

Commits on Sep 12, 2024

• Include comments

  frederik-sandfort1

  committed
  cd18310

• linting

  frederik-sandfort1

  committed
  c0427ab

• linting and ComplexFilter

  frederik-sandfort1

  committed
  cfdfd83

• typing, tests, complex filter naming

  frederik-sandfort1

  committed
  b843657

• finalize filter refactoring

  frederik-sandfort1

  committed
  a93344c

Commits on Oct 1, 2024

• Merge branch 'main' into filter_update

  frederik-sandfort1

  authored
  235c8f8

• review Christian

  frederik-sandfort1

  committed
  47d4d90

• pylint

  frederik-sandfort1

  committed
  1f8dc1c

Commits on Oct 7, 2024

• include check for failed patterns in init

  frederik-sandfort1

  committed
  d345191

• final review

  frederik-sandfort1

  committed
  08d58f4

• final linting

  frederik-sandfort1

  committed
  ede7d39

• final final linting

  frederik-sandfort1

  committed
  222675c

• final final final linting

  frederik-sandfort1

  committed
  30e5701

Commits on Oct 14, 2024

• Merge branch 'main' into filter_update

  frederik-sandfort1

  authored
  aa2ab98