fix compatibility with torch drug

[avi-pomicell]

this fixes AttributeError: type object 'Molecule' has no attribute 'dummy_atom'

Changes

fix contants.py

[kajocina]

hi! when do you get this error exactly? can you explain the problem a bit more?

[codecov-commenter]

Codecov Report

Merging #106 (2894a58) into main (4ad18c1) will not change coverage. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##             main     #106   +/-   ##
=======================================
  Coverage   94.65%   94.65%           
=======================================
  Files          34       34           
  Lines        1478     1478           
=======================================
  Hits         1399     1399           
  Misses         79       79           

Impacted Files	Coverage Δ
chemicalx/constants.py	100.00% <100.00%> (ø)

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[avi-pomicell]

hi! when do you get this error exactly? can you explain the problem a bit more?

this is what i remember: I installed the requirements and tried running the example code.

I got an error AttributeError: type object 'Molecule' has no attribute 'dummy_atom'

I did some research and found out that this is because of a recent change in one of the dependency packages (torchdrug?). when i downgraded the dependency, the code worked ok.

I found out that the field "dummy_atom" was removed recently.

this pull requests solves that issue.

[kajocina]

Thanks :)