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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
Decide on version scheme
Discussion
Issues to be discussed by the contributors
Priority: Medium
Important issues to address after high priority.
#224
opened Jun 3, 2024 by
PicoCentauri
PET checkpointing and restarting
Discussion
Issues to be discussed by the contributors
Priority: High
Critical issues needing immediate attention.
#214
opened May 29, 2024 by
frostedoyster
Allow for specification of a train set size
Discussion
Issues to be discussed by the contributors
Infrastructure: Data
Related to data handling like readers and datasets
#212
opened May 28, 2024 by
jwa7
PET & Alchemical-model produce different results with same random seed
Alchemical Model
Alchemical model experimental architecture
PET
PET experimental architecture
Priority: Medium
Important issues to address after high priority.
#211
opened May 28, 2024 by
HannaTuerk
Save optimizer state along with model checkpoints
Alchemical Model
Alchemical model experimental architecture
Discussion
Issues to be discussed by the contributors
Priority: High
Critical issues needing immediate attention.
SOAP BPNN
SOAP BPNN experimental architecture
#203
opened May 27, 2024 by
frostedoyster
eval
: allow user to request properties
Infrastructure: CLI
#192
opened May 18, 2024 by
frostedoyster
Provide models with pre-computed neighbor lists during training
Discussion
Issues to be discussed by the contributors
Infrastructure: CLI
Related to the command line interface
#189
opened May 17, 2024 by
Luthaf
Prevent users from overwriting non-existent fields
Priority: High
Critical issues needing immediate attention.
#168
opened Apr 4, 2024 by
frostedoyster
Add utilities for short-range repulsive energy
Infrastructure: Miscellaneous
General infrastructure issues
Priority: Low
Non-urgent issues to handle last.
#159
opened Mar 28, 2024 by
Luthaf
Decide on range of supported version for the core dependencies, and test them in CI
Discussion
Issues to be discussed by the contributors
Infrastructure: Miscellaneous
General infrastructure issues
Priority: Low
Non-urgent issues to handle last.
#157
opened Mar 18, 2024 by
Luthaf
Show authors/maintainers in documentation and error messages
Documentation
Improvements or additions to documentation
Infrastructure: CLI
Related to the command line interface
Priority: Medium
Important issues to address after high priority.
#154
opened Mar 15, 2024 by
Luthaf
Set a reader library instead of file suffix
Infrastructure: Data
Related to data handling like readers and datasets
Priority: Medium
Important issues to address after high priority.
#153
opened Mar 15, 2024 by
PicoCentauri
Use Non-urgent issues to handle last.
ModelMetadata()
Priority: Low
#140
opened Mar 12, 2024 by
frostedoyster
Remove XYZ data files from the repo
Infrastructure: Data
Related to data handling like readers and datasets
Priority: Low
Non-urgent issues to handle last.
#93
opened Feb 20, 2024 by
Luthaf
References in documentation/logs
Documentation
Improvements or additions to documentation
Infrastructure: Logging
Related to logging
Priority: Low
Non-urgent issues to handle last.
#90
opened Feb 20, 2024 by
frostedoyster
Decide how to handle checkpointing
Discussion
Issues to be discussed by the contributors
Infrastructure: CLI
Related to the command line interface
Priority: High
Critical issues needing immediate attention.
#89
opened Feb 20, 2024 by
frostedoyster
ProTip!
Follow long discussions with comments:>50.