Skip to content

Issues: lanl/hippynn

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

Clear current search query, filters, and sorts
9 Open 17 Closed
9 Open 17 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Training on data with different number of atoms.
#131 by Arijit-Majumdar was closed Mar 6, 2025
1
KDTree pairs silently errors
#126 by lubbersnick was closed Feb 20, 2025
@shinkle-lanl
1
hippynn.pretraining doesn't have hierarchical_energy_initialization and problem with species data type.
#124 by Arijit-Majumdar was closed Jan 10, 2025
7
testing with extranious data splits
#121 by bnebgen-LANL was closed Feb 3, 2025
1
Update setup to use pyproject.toml file to retain option for editable installation with pip>=25.0
#95 by shinkle-lanl was closed Sep 9, 2024
1
@shinkle-lanl
Add unit flexibility when building lammps interface
#74 by lubbersnick was closed Aug 28, 2024
1
add functionality for writing ANI h5 files enhancement New feature or request
#69 by lubbersnick was closed Apr 30, 2024
@bnebgen-LANL
2
Depreciation warning for argument on PyTorch ReduceLROnPlateau function
#67 by shinkle-lanl was closed Jan 13, 2025
1
Installation issues for python version 3.12
#61 by sakibmatin was closed Apr 10, 2024
@shinkle-lanl
2
Possible fix to hippynn via mliap interface CPU failure
#60 by Montana was closed Aug 15, 2024
1
Update minimum python version to 3.9
#55 by lubbersnick was closed Jan 23, 2024
1
@tautomer @shinkle-lanl @lubbersnick
3
Using hippynn via mliap interface on CPU causes it to fail
#54 by wusatosi was closed Aug 28, 2024
6
Fix numerical stability of e0 determination.
#45 by lubbersnick was closed Oct 23, 2023
Example needed for finding close contacts in datasets
#43 by lubbersnick was closed Oct 23, 2023
1
Request for group weights
#41 by rohskopf was closed Apr 9, 2024
Variable inner loops for different optimizers enhancement New feature or request
#37 by lubbersnick was closed Oct 23, 2023
[Feature Request] Upload library to a package index
#1 by SauravMaheshkar was closed Jan 28, 2023 0.1 release
@lubbersnick
ProTip! Mix and match filters to narrow down what you’re looking for.