Code

Support mol2 files as ground truth#37

Code

Merged

maabuu merged 10 commits intomainmaabuu/posebusters:mainfrom mol2_ground_truthmaabuu/posebusters:mol2_ground_truthCopy head branch name to clipboardMay 22, 2024

+4,888-15

Commits

Commits on May 21, 2024

• Add test for mol2 file as ground truth

  maabuu

  committed
  cf1d38e

• Add str as type for molecules

  maabuu

  committed
  288b4a9

• Bump version

  maabuu

  committed
  10aaba6

• Formatting

  maabuu

  committed
  08a0354

• Bug fix

  maabuu

  committed
  ff0f62f

• Allow loading mol2 files as ground truth files

  maabuu

  committed
  9ce799d

• Drop Python 3.12 support and drop 3.7

  maabuu

  committed
  68c3de2

• Add support for Python 3.12 and drop 3.7

  maabuu

  committed
  5162eae

Commits on May 22, 2024

• Ignore .mol2 files

  maabuu

  committed
  95942ee

• Add warning for .mol2 containing multiple molecules

  maabuu

  committed
  561481c