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38 Open 109 Closed
38 Open 109 Closed
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Issues list

Test error with new versioning Bug Something isn't working Priority: Medium Important issues to address after high priority.
#471 opened Feb 1, 2025 by frostedoyster
7
Always set 0 as the port for distributed training (?) Discussion Issues to be discussed by the contributors
#468 opened Jan 31, 2025 by frostedoyster
1
Increase test coverage Priority: Medium Important issues to address after high priority.
#463 opened Jan 29, 2025 by frostedoyster
Metatensor writer Infrastructure: Data Related to data handling like readers and datasets Priority: Medium Important issues to address after high priority.
#462 opened Jan 29, 2025 by frostedoyster
Also save training stats as CSV or other Discussion Issues to be discussed by the contributors Infrastructure: Data Related to data handling like readers and datasets Priority: Medium Important issues to address after high priority.
#461 opened Jan 29, 2025 by frostedoyster
Some general points about sample handling Discussion Issues to be discussed by the contributors Infrastructure: Miscellaneous General infrastructure issues SOAP BPNN SOAP BPNN experimental architecture
#459 opened Jan 28, 2025 by jwa7
2
Allow user to control extent of weight sharing for spherical targets Discussion Issues to be discussed by the contributors Infrastructure: Miscellaneous General infrastructure issues SOAP BPNN SOAP BPNN experimental architecture
#458 opened Jan 28, 2025 by jwa7
2
Allow spherical targets to contain arbitrary key dimensions Infrastructure: Miscellaneous General infrastructure issues
#452 opened Jan 20, 2025 by jwa7
Split heads for different blocks of the same target? Discussion Issues to be discussed by the contributors NanoPET Nanopet model experimental architecture Priority: Medium Important issues to address after high priority. SOAP BPNN SOAP BPNN experimental architecture
#443 opened Jan 13, 2025 by frostedoyster
Better error message when inconsistent files are specified in read_from for energies and forces Good first issue Good for newcomers Infrastructure: Data Related to data handling like readers and datasets Priority: Medium Important issues to address after high priority.
#440 opened Jan 6, 2025 by SanggyuChong
Change remove_scale function name? Discussion Issues to be discussed by the contributors Infrastructure: Miscellaneous General infrastructure issues Priority: Low Non-urgent issues to handle last.
#432 opened Dec 16, 2024 by frostedoyster
PET restart fails with options_restart.yaml Bug Something isn't working PET PET experimental architecture Priority: Low Non-urgent issues to handle last.
#424 opened Dec 12, 2024 by HannaTuerk
Some parameters might not work if given as integers Bug Something isn't working Priority: Medium Important issues to address after high priority.
#414 opened Dec 6, 2024 by frostedoyster
1
@frostedoyster
2
Allow PET to fit more types of target PET PET experimental architecture Priority: Low Non-urgent issues to handle last.
#403 opened Nov 25, 2024 by frostedoyster
"Adding a new architecture" is a bit outdated, as well as the corresponding PR instructions Documentation Improvements or additions to documentation Priority: Medium Important issues to address after high priority.
#389 opened Nov 13, 2024 by frostedoyster
@frostedoyster
Allow user-facing shortcuts for architecture parameters Discussion Issues to be discussed by the contributors Infrastructure: CLI Related to the command line interface Priority: Low Non-urgent issues to handle last.
#387 opened Nov 12, 2024 by frostedoyster
2
Automatic parameter selection Discussion Issues to be discussed by the contributors Infrastructure: Miscellaneous General infrastructure issues Priority: Medium Important issues to address after high priority.
#380 opened Nov 5, 2024 by frostedoyster
ZBL follow-up Infrastructure: Miscellaneous General infrastructure issues Priority: Medium Important issues to address after high priority.
#355 opened Oct 9, 2024 by frostedoyster
1
@frostedoyster
2
Add architecture version when checkpointing Priority: Medium Important issues to address after high priority.
#351 opened Oct 3, 2024 by PicoCentauri
Can we improve architecture installation? Infrastructure: CLI Related to the command line interface Priority: Medium Important issues to address after high priority.
#342 opened Sep 23, 2024 by PicoCentauri
@PicoCentauri
3
Tests are too slow Priority: Medium Important issues to address after high priority.
#340 opened Sep 23, 2024 by Luthaf
1
2
User input "gpu" is inplaced renamed to "cuda" Good first issue Good for newcomers Infrastructure: Miscellaneous General infrastructure issues Priority: Medium Important issues to address after high priority.
#326 opened Jul 29, 2024 by PicoCentauri
Link or put multi-GPU training docs inside SOAP-BPNN docs Priority: Medium Important issues to address after high priority. SOAP BPNN SOAP BPNN experimental architecture
#325 opened Jul 29, 2024 by PicoCentauri
No device and batch size selection during eval Infrastructure: CLI Related to the command line interface Priority: Medium Important issues to address after high priority.
#322 opened Jul 27, 2024 by abmazitov
@abmazitov
Restarting is not the same as a single training run NanoPET Nanopet model experimental architecture Priority: Medium Important issues to address after high priority. SOAP BPNN SOAP BPNN experimental architecture
#283 opened Jul 5, 2024 by frostedoyster
@frostedoyster
1
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