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uiocompcat / tmcinvdes

Public repository for preprint "Deep Generative Model for the Dual-Objective Inverse Design of Metal Complexes"
MIT License
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Update (7->8), closing #35 #36

Closed tlinjordet closed 1 month ago

tlinjordet commented 1 month ago

Small code change to use compare_dataframes from ligand_generation/utils.py and removed excessive troubleshooting print statements.

Closes #35.