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PreProcessing unit tests#48

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sfluegel05 merged 58 commits intodevChEB-AI/python-chebai:devfrom additional_unit_testsChEB-AI/python-chebai:additional_unit_testsCopy head branch name to clipboardNov 4, 2024

+3,774

Commits

Commits on Aug 29, 2024

• move previous tests to integration dir

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  committed
  cc5bc08

• unit dir + test for ChemDataReader

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  5af0351

• Test for DataReader

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  a0810a2

• tests for DeepChemReader

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• Test for SelfiesReader

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  aa467c6

Commits on Aug 30, 2024

• test for ProteinDataReader

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  b6f5e51

• test for DefaultCollator

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  73f05c0

Commits on Aug 31, 2024

• test for RaggedColllator

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  8007f37

• modify tests to use setUpClass class method instead of setUp instance method

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  248eaa7

Commits on Sep 1, 2024

• bool labels instead of numeric, for realistic data

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  3e57d78

• test for XYBaseDataModule

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  f9ca653

• test for DynamicDataset

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  d8016aa

• add relevant msg to each assert statement

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  0c7c5b8

Commits on Sep 4, 2024

• test data class for chebi ontology

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  c0aaeea

• test for term callback + mock data changes

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  764216e

Commits on Sep 5, 2024

• test for chebidataextractor + changes in mock data

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  1dd8428

• mock reader for all + test_setup_pruned_test_set changes

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  f3519b5

• fix for misalignment between x an y in RaggedCollator

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  fc0fd47

Commits on Sep 6, 2024

• test for ChebiOverX

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  f7f1631

• test for ChebiXOverPartial

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  bf45bb5

Commits on Sep 9, 2024

• Mock data for GOUniProt

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  17bf584

• test for GOUniProtDataExtractor

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  c6c5a59

• Merge branch 'protein_prediction' into additional_unit_tests

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  78f5289

• update test to new method name _extract_class_hierarchy

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  427bc60

• test for GOUniProtOverX

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  c01ecde

Commits on Sep 10, 2024

• test for _load_data_from_file for Tox21MolNet

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  dfd084e

Commits on Sep 16, 2024

• _load_data_from_file test case Tox21Challenge

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  77956d4

Commits on Sep 17, 2024

• test for Tox21Chal

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  a3670b0

• patch os.makedirs in tests to avoid creating directories

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  ac3ac19

Commits on Sep 22, 2024

• add test case for invalid token/input to read_data

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  44a1dfd

Commits on Sep 25, 2024

• test case for Tox21MolNet.setup_processed simple split

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  aab0fea

• test case for Tox21MolNet.setup_processed group split

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  fc8182e

• add group key + convert generator to list

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  e4caae8

• Merge branch 'refactor_tox21MolNet' into additional_unit_tests

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  43c2408

• Merge branch 'refactor_term_callback' into additional_unit_tests

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• update chebi test as per modified term_callback

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  1d3ecbe

• Merge branch 'refactor_term_callback' into additional_unit_tests

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  d6726cc

• group key not needed for Tox21Chal._load_dict

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  committed
  35a621c

Commits on Oct 1, 2024

• Merge branch 'dev' into additional_unit_tests

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  c2e6897

• Obsolete terms being the parent of valid terms

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• Merge branch 'refactor_term_callback' into additional_unit_tests

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  d873bd7

• Merge branch 'protein_prediction' into additional_unit_tests

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  553f083

Commits on Oct 5, 2024

• remove absolete path for mocked open func

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  b479d5a

• test single label split scenario implemented in #54

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  adedc09

• test output format for Tox21MolNet._load_data_from_file

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  65c2d9b

• Merge branch 'dev' into additional_unit_tests

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  72dd50f

• DynamicDataset: check split stratification

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  a63c010

Commits on Oct 11, 2024

• Merge branch 'dev' into additional_unit_tests

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  committed
  309daed

Commits on Oct 12, 2024

• Merge branch 'protein_prediction' into additional_unit_tests

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  e38d1ab

• fix testcase for GO

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  e3c4b6e

Commits on Oct 19, 2024

• Merge branch 'protein_prediction' into additional_unit_tests

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  1470e93

Commits on Oct 20, 2024

• update testcase as per transitive go ids

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  committed
  c1ddd17

• remove test for tox21mol net

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  committed
  bf6bc4a

Commits on Oct 22, 2024

• Revert "add group key + convert generator to list"

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  b915b0d

Commits on Nov 1, 2024

• Merge branch 'dev' into additional_unit_tests

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  282bc09

Commits on Nov 2, 2024

• update swiss data for pretraining test

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  a71b199

• add test for protein pretraining class

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  8abd14d

• test : reformat with precommit

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