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settings in training.yml #21

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Samuel-gwb opened this issue Apr 8, 2024 · 0 comments

Samuel-gwb commented Apr 8, 2024

Great work!
@guanjq a couple of questions:

in provided training.yml, the ligand_atom_mode is "add_aromatic" and random_rot "False". Are these settings of the provided pretrained model?
Have you tried "full" and "True", respectively? And will "full" and "True" lead to better effect?

#############
data:
...
transform:
ligand_atom_mode: add_aromatic
random_rot: False
##############

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