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sparks-baird
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matsci-opt-benchmarks
A collection of benchmarking problems and datasets for testing the performance of advanced optimization algorithms in the field of materials science and chemistry.
https://matsci-opt-benchmarks.readthedocs.io/
MIT License
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shorten readme
#44
sgbaird
closed
10 months ago
0
__version__ doesn't work, some issue with namespace
#43
sgbaird
opened
1 year ago
0
Public leaderboard and submission system
#42
sgbaird
opened
1 year ago
0
mention pseudocrab
#41
sgbaird
closed
1 year ago
1
note about non-gaussianity
#40
sgbaird
closed
1 year ago
1
update to new readthedocs format
#39
sgbaird
closed
1 year ago
1
Implement dummy flag for PseudoCrab and other surrogate models
#38
sgbaird
opened
1 year ago
0
add desired example of how the benchmark generation from existing data
#37
sgbaird
closed
1 year ago
0
Add example of what the functionality should look like
#36
sgbaird
closed
1 year ago
0
implementation and basic testing of PseudoCrab
#35
sgbaird
closed
1 year ago
0
Update conf.py
#34
sgbaird
closed
1 year ago
1
Update README.md
#33
sgbaird
closed
1 year ago
1
Update README.md
#32
sgbaird
closed
1 year ago
1
Update Datainbrief.docx
#31
sgbaird
closed
1 year ago
1
Update Datainbrief.docx
#30
sgbaird
closed
1 year ago
1
running with dummy=False
#29
sgbaird
closed
1 year ago
1
Data in Brief documents
#28
sgbaird
closed
1 year ago
1
Notebooks
#27
sgbaird
closed
1 year ago
1
Data in Brief
#26
sgbaird
closed
1 year ago
1
cleanup notebooks and fix paths, new figures
#25
sgbaird
closed
1 year ago
0
Create Datainbrief.pdf
#24
sgbaird
closed
1 year ago
1
joblib compress, and fixup cv and production model saving
#23
sgbaird
closed
1 year ago
2
fixing packing generation submitit
#22
sgbaird
closed
1 year ago
1
completed 1.2 notebook, created initial surrogate models, updated graphs
#21
jeet-parikh
closed
1 year ago
2
Possible to expose benchmark function as serverless function
#20
sgbaird
opened
1 year ago
1
Add documentation to core.py and submitit.py
#19
jeet-parikh
closed
1 year ago
1
crabnet-hyperparameter job submission code
#18
sgbaird
closed
1 year ago
1
Ramseys branch
#17
ramseyissa
closed
1 year ago
6
CUDA error with CrabNet call
#16
sgbaird
opened
1 year ago
0
CrabNet conda package needs to be updated (`2.*.*` versions)
#15
sgbaird
opened
1 year ago
0
crabnet parameters and evaluate
#14
jeet-parikh
closed
1 year ago
2
saving models as combined .pkl files
#13
sgbaird
closed
1 year ago
1
data in brief article for crabnet_hyperparameter and particle packing surrogate model updates
#12
sgbaird
closed
1 year ago
1
correct input features for the regression models
#11
sgbaird
closed
1 year ago
1
Update .pre-commit-config.yaml
#10
sgbaird
closed
1 year ago
0
initial commit RFR notebook
#9
sgbaird
closed
1 year ago
0
gh actions only on linux
#8
sgbaird
closed
1 year ago
0
reports and zenodo upload notebook
#7
sgbaird
closed
1 year ago
0
Is fixing the third mean the same as making it size invariant?
#5
sgbaird
closed
1 year ago
1
Bookkeeping
#1
sgbaird
closed
1 year ago
0