Skip to content

Issues: IntelLabs/matsciml

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

23 Open 41 Closed
23 Open 41 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

[Feature request]: Refactor FAENet to not require torch_scatter enhancement New feature or request
#313 opened Oct 29, 2024 by laserkelvin
1 of 6 tasks
[Bug]: PyG implementation of EGNN fails with newer versions of PyG bug Something isn't working
#311 opened Oct 28, 2024 by laserkelvin
[Bug]: FAENet uses a different periodic boundary condition implementation bug Something isn't working
#309 opened Oct 21, 2024 by laserkelvin
[Feature request]: Missing documentation pages documentation Improvements or additions to documentation enhancement New feature or request good first issue Good for newcomers
#280 opened Aug 24, 2024 by laserkelvin
6 of 20 tasks
[Bug]: MaterialsTrajectoryDataset has no devset bug Something isn't working
#268 opened Aug 6, 2024 by laserkelvin
[Feature request]: Refactor MaterialsProjectDataset to not serialize pymatgen Structures in LMDB code maintenance Issue/PR for refactors, code clean up, etc. data Issues related to data loading, pipelining, etc. enhancement New feature or request
#267 opened Aug 6, 2024 by laserkelvin
2 of 6 tasks
@laserkelvin
[Feature request]: Improve interfacing between encoders and output heads code maintenance Issue/PR for refactors, code clean up, etc. enhancement New feature or request ux User experience, quality of life changes
#265 opened Jul 30, 2024 by laserkelvin
2 of 6 tasks
@laserkelvin @melo-gonzo
[Feature request]: Allow weights transfer and/or restarting from earlier checkpoint with experiment CLI enhancement New feature or request training Issues related to model training ux User experience, quality of life changes
#263 opened Jul 29, 2024 by laserkelvin
1 of 6 tasks
@laserkelvin @melo-gonzo
[Feature request]: Refactor atomic data into joint module enhancement New feature or request good first issue Good for newcomers ux User experience, quality of life changes
#253 opened Jul 15, 2024 by laserkelvin
1 of 6 tasks
[Feature request]: Improve functionality of GradientCheckCallback by recording skipped samples enhancement New feature or request
#231 opened Jun 3, 2024 by laserkelvin
1 of 6 tasks
@laserkelvin
[Feature request]: MultiTaskLitModule Refactor enhancement New feature or request
#225 opened May 24, 2024 by melo-gonzo
1 of 6 tasks
[Feature request]: Load and Use Wrapped Models 'As Is' From External Pretrained Checkpoint enhancement New feature or request
#223 opened May 23, 2024 by melo-gonzo
6 tasks
[Feature request]: ase Trajectory logging to standard output enhancement New feature or request
#216 opened May 15, 2024 by laserkelvin
6 tasks
Implement abstract label transformation interface, including caching mechanism
#162 opened Mar 20, 2024 by laserkelvin
[Feature request]: Flexibility in label transformations enhancement New feature or request
#160 opened Mar 19, 2024 by laserkelvin
1 of 8 tasks
@laserkelvin
[Feature request]: Interface to atomic properties code maintenance Issue/PR for refactors, code clean up, etc. enhancement New feature or request good first issue Good for newcomers
#115 opened Feb 7, 2024 by laserkelvin
1 of 6 tasks
[Feature request]: Homogenization of data structures and physical representations code maintenance Issue/PR for refactors, code clean up, etc. data Issues related to data loading, pipelining, etc. good first issue Good for newcomers
#104 opened Jan 20, 2024 by laserkelvin
1 of 6 tasks
@melo-gonzo
1
[Feature request]: Standardized data structure for datasets code maintenance Issue/PR for refactors, code clean up, etc. data Issues related to data loading, pipelining, etc. enhancement New feature or request
#97 opened Jan 13, 2024 by laserkelvin
1 of 6 tasks
[Bug]: remove_self_loops() function is missing bug Something isn't working
#87 opened Jan 10, 2024 by bmuaz
[Bug]: Normalization keys mismatch fails silently bug Something isn't working training Issues related to model training ux User experience, quality of life changes
#75 opened Dec 8, 2023 by laserkelvin
1
@laserkelvin
[Feature request]: Remove obsolete encoder_only arguments from model definitions enhancement New feature or request models Issues related to existing or new model implementations
#68 opened Nov 17, 2023 by laserkelvin
2 of 6 tasks
[Bug]: Improving on-boarding experience documentation Improvements or additions to documentation
#58 opened Oct 23, 2023 by laserkelvin
@laserkelvin @melo-gonzo
[Bug]: Errors in Gathering Space Group Info For Materials Project bug Something isn't working
#50 opened Sep 13, 2023 by melo-gonzo
ProTip! Follow long discussions with comments:>50.