Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

KeyError: 'GIN_p.convs.0.nn.lins.0.weight' #34

Open
rohanvarm opened this issue Aug 1, 2022 · 0 comments
Open

KeyError: 'GIN_p.convs.0.nn.lins.0.weight' #34

rohanvarm opened this issue Aug 1, 2022 · 0 comments

Comments

@rohanvarm
Copy link

KeyError: 'GIN_p.convs.0.nn.lins.0.weight'
i am using the the notebook provided, it errors out protonation_states = calculate_microstate_pka_values(mol, only_dimorphite=True)

Not sure there seems to be a mismatch with the model provided and the code
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@rohanvarm