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Published 20 hours ago • verified publisher icon torchmd

Conda load two envs

Open poroussong opened this issue 1 year ago • 0 comments

Hello,

I start the simulating by activating torchmd_protein_thermodynamics. When testing the simulation (python /home/zz/torchmd-master/torchmd/run.py --conf simulate.yaml), it throws an error: ModuleNotFoundError: No module named 'torchmdnet'. Then I activated torchmd-net, however, this time it gives ModuleNotFoundError: No module named 'torchmd-cg'. Could you help me solve the issue?

Regards,

Zhe

poroussong avatar Jul 26 '23 13:07 poroussong