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A design for more generic targets
Infrastructure: CLI
Related to the command line interface
Infrastructure: Data
Related to data handling like readers and datasets
Priority: Medium
Important issues to address after high priority.
#364
opened Oct 18, 2024 by
frostedoyster
"Automatic" continuation
Infrastructure: CLI
Related to the command line interface
Priority: High
Critical issues needing immediate attention.
#362
opened Oct 17, 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
Add architecture Important issues to address after high priority.
version
when checkpointing
Priority: Medium
#351
opened Oct 3, 2024 by
PicoCentauri
Downloading pre-trained models
Discussion
Issues to be discussed by the contributors
Infrastructure: CLI
Related to the command line interface
Priority: High
Critical issues needing immediate attention.
#343
opened Sep 24, 2024 by
PicoCentauri
Can we improve architecture installation?
Infrastructure: CLI
Related to the command line interface
Priority: High
Critical issues needing immediate attention.
#342
opened Sep 23, 2024 by
PicoCentauri
Tests are too slow
Priority: Medium
Important issues to address after high priority.
#340
opened Sep 23, 2024 by
Luthaf
Unclear usage of energy key
Documentation
Improvements or additions to documentation
Infrastructure: Data
Related to data handling like readers and datasets
#339
opened Sep 21, 2024 by
bananenpampe
How to train a PET model with the current metatrain version?
Documentation
Improvements or additions to documentation
PET
PET experimental architecture
#336
opened Sep 20, 2024 by
bananenpampe
Override option does not work with more than one overridden field
Infrastructure: CLI
Related to the command line interface
Priority: High
Critical issues needing immediate attention.
#329
opened Aug 7, 2024 by
frostedoyster
User input Good for newcomers
Infrastructure: Miscellaneous
General infrastructure issues
Priority: Medium
Important issues to address after high priority.
"gpu"
is inplaced renamed to "cuda"
Good first issue
#326
opened Jul 29, 2024 by
PicoCentauri
Link or put multi-GPU training docs inside SOAP-BPNN docs
SOAP BPNN
SOAP BPNN experimental architecture
#325
opened Jul 29, 2024 by
PicoCentauri
NanoPET fails the test set evaluation in the end of training
Bug
Something isn't working
NanoPET
Nanopet model experimental architecture
Priority: Medium
Important issues to address after high priority.
#324
opened Jul 28, 2024 by
abmazitov
No device and batch size selection during Related to the command line interface
Priority: Medium
Important issues to address after high priority.
eval
Infrastructure: CLI
#322
opened Jul 27, 2024 by
abmazitov
Checkpointing is CUDA-specific (?)
Infrastructure: Miscellaneous
General infrastructure issues
Priority: Medium
Important issues to address after high priority.
#312
opened Jul 23, 2024 by
frostedoyster
Underscores in target names break something
Infrastructure: Data
Related to data handling like readers and datasets
Priority: Medium
Important issues to address after high priority.
#310
opened Jul 22, 2024 by
frostedoyster
Save final checkpoint (and final model?) also in output folder
Infrastructure: Miscellaneous
General infrastructure issues
Priority: High
Critical issues needing immediate attention.
#309
opened Jul 21, 2024 by
frostedoyster
Restarting is not the same as a single training run
Priority: Medium
Important issues to address after high priority.
SOAP BPNN
SOAP BPNN experimental architecture
#283
opened Jul 5, 2024 by
frostedoyster
Add a Python evaluator?
Infrastructure: Miscellaneous
General infrastructure issues
Priority: Medium
Important issues to address after high priority.
#281
opened Jul 3, 2024 by
frostedoyster
Automatically Importing Rascaline's JSON Schema
GAP
GAP experimental architecture
Priority: Low
Non-urgent issues to handle last.
SOAP BPNN
SOAP BPNN experimental architecture
#278
opened Jul 2, 2024 by
PicoCentauri
Add presets?
Infrastructure: CLI
Related to the command line interface
Priority: Medium
Important issues to address after high priority.
#273
opened Jun 27, 2024 by
spozdn
Add a short range repulsive potential as baseline potential
Discussion
Issues to be discussed by the contributors
Priority: Medium
Important issues to address after high priority.
#265
opened Jun 19, 2024 by
PicoCentauri
Remove checks for Non-urgent issues to handle last.
vesin
Priority: Low
#263
opened Jun 14, 2024 by
frostedoyster
Non-distributed multi-GPU training
Alchemical Model
Alchemical model experimental architecture
PET
PET experimental architecture
Priority: Low
Non-urgent issues to handle last.
SOAP BPNN
SOAP BPNN experimental architecture
#257
opened Jun 13, 2024 by
frostedoyster
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