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

Support parameter derivatives #141

Open
peastman opened this issue May 14, 2024 · 1 comment
Open

Support parameter derivatives #141

peastman opened this issue May 14, 2024 · 1 comment
Labels
enhancement New feature or request

Comments

@peastman
Copy link
Member

TorchForce should have a addEnergyParameterDerivative() function so you can compute derivatives with respect to global parameters. See #140.
@peastman peastman added the enhancement New feature or request label May 14, 2024
@peastman peastman mentioned this issue May 14, 2024
Open
@RaulPPelaez
Copy link
Contributor

I will take a crack at it. Any pointers are appreciated!

@RaulPPelaez RaulPPelaez mentioned this issue May 15, 2024
Closed
@peastman peastman mentioned this issue May 15, 2024
Merged
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
enhancement New feature or request
Projects
None yet
Milestone
No milestone
Development

Successfully merging a pull request may close this issue.

Support parameter derivatives RaulPPelaez/openmm-torch
2 participants
@peastman @RaulPPelaez