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.

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

Retraining model with D4 correction #4

Open
atom-moyer opened this issue Oct 24, 2019 · 0 comments
Open

Retraining model with D4 correction #4

atom-moyer opened this issue Oct 24, 2019 · 0 comments

Comments

@atom-moyer
Copy link

Hi,

I am interested in retraining the CHONSFCl-SMD model with the d4 correction baked into the model because GPUs are able to out compute the dispersion correction on a CPU for molecules with ~100 atoms.

Do you have plans to release the full dataset with CHONSFCl dataset? Would you be interested in collaborating with me? This model is perfect for molecular design which is what I am using it for.

Thanks,
Adam Moyer

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant