Hello,
Thanks for posting your code!
In an attempt to give it a try, it seems a module is not found:
Traceback (most recent call last):
File "/usr/local/bin/chemist", line 5, in
from chemist.run import main
File "/usr/local/lib/python3.9/dist-packages/chemist/run.py", line 35, in
from chemist.utils.train_ligand_binding_model import train_ligand_binding_model
ModuleNotFoundError: No module named 'chemist.utils.train_ligand_binding_model'
Hello, Thanks for posting your code! In an attempt to give it a try, it seems a module is not found: Traceback (most recent call last): File "/usr/local/bin/chemist", line 5, in
from chemist.run import main
File "/usr/local/lib/python3.9/dist-packages/chemist/run.py", line 35, in
from chemist.utils.train_ligand_binding_model import train_ligand_binding_model
ModuleNotFoundError: No module named 'chemist.utils.train_ligand_binding_model'
Any help is appreciated.