settings in training.yml

[Samuel-gwb]

Great work! @guanjq a couple of questions:

1. in provided training.yml, the ligand_atom_mode is "add_aromatic" and random_rot "False". Are these settings of the provided pretrained model?
2. 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 ##############