Code

Handle invalid molecules#42

Code

Merged

EBjerrum merged 17 commits intoEBjerrum:handle_invalid_moleculesEBjerrum/scikit-mol:handle_invalid_moleculesfrom c-feldmann:handle_invalid_moleculesc-feldmann/scikit-mol:handle_invalid_moleculesCopy head branch name to clipboardSep 17, 2024

+401-12

Commits

Commits on Sep 22, 2023

• Add InvalidInstance and add empty file for wrappers

  c-feldmann

  committed
  e8744d2

• Nothing works but I want to save commit

  c-feldmann

  committed
  361284b

• first working draft

  c-feldmann

  committed
  e5c6a20

Commits on Sep 23, 2023

• Merge branch 'EBjerrum:main' into main

  c-feldmann

  authored
  db7cbe5

• Merge remote-tracking branch 'origin/main' into add_predictor

  c-feldmann

  committed
  a74eeaf

Commits on Sep 13, 2024

• Merge branch 'EBjerrum:main' into main

  c-feldmann

  authored
  902d549

• Merge remote-tracking branch 'origin/main' into add_predictor

  Show description for 893e155
  c-feldmann

  committed
  893e155

• Add docstrings

  c-feldmann

  committed
  2593ca2

• refactor unittest

  c-feldmann

  committed
  de5d0d8

• add Transformer which can make molecules invalid

  c-feldmann

  committed
  7ddbfe1

• Resolve merge issues with smiles_list

  c-feldmann

  committed
  17f19d4

• Add docstring

  c-feldmann

  committed
  6c1d3e6

• Add init

  c-feldmann

  committed
  591a2ac

• Add Message encountering Errors

  c-feldmann

  committed
  c713ece

• Fix Message encountering Errors

  c-feldmann

  committed
  85c9745

• Fix reference to test classes

  c-feldmann

  committed
  ce55a52

• Add __len__ to class

  c-feldmann

  committed
  9e72d67