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22 Open 43 Closed
22 Open 43 Closed
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Issues list

[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
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