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InfluenceFunctional
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MXtalTools
BSD 3-Clause "New" or "Revised" License
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Write helpful descriptions of dataset features
#33
InfluenceFunctional
closed
11 months ago
2
Confirm correct behavior of nested command line overrides
#32
InfluenceFunctional
opened
1 year ago
1
Find and solve memory bottleneck in regression model training
#31
InfluenceFunctional
closed
1 year ago
1
Automated test integration
#30
InfluenceFunctional
opened
1 year ago
1
Unit tests for geometry functions
#29
InfluenceFunctional
opened
1 year ago
0
confirm checkpoints and stats dict save in run dirs
#28
InfluenceFunctional
closed
1 year ago
0
Some atom_coords and atom_features have different lengths in modelling_utils
#27
InfluenceFunctional
closed
1 year ago
3
Overhaul for ease of use.
#26
InfluenceFunctional
closed
1 year ago
0
Reimplement gan_evanluation in `crystal_modeller.py`
#25
InfluenceFunctional
closed
1 year ago
2
Reconfirm/streamline RAM usage
#24
InfluenceFunctional
closed
1 year ago
3
Develop better diversity enforcement loss for generator
#23
InfluenceFunctional
closed
1 year ago
1
Benchmark test batteries
#22
InfluenceFunctional
closed
7 months ago
2
Initial test writing
#21
InfluenceFunctional
closed
1 year ago
4
Add back various functional group booleans to tracking features
#20
InfluenceFunctional
closed
1 year ago
0
Model reloading for ongoing training
#19
InfluenceFunctional
opened
1 year ago
0
Add example bash script to examples
#18
InfluenceFunctional
closed
1 year ago
0
Add example configs / scripts to README
#17
InfluenceFunctional
closed
1 year ago
0
Update docstrings throughout utils, modeller, crystal_builder
#16
InfluenceFunctional
closed
1 year ago
0
Implement CSP mode as standalone evaluation in crystal_modeller
#15
InfluenceFunctional
closed
1 month ago
0
Revise CSP reporting
#14
InfluenceFunctional
closed
1 month ago
0
Add optimization utility to CSP pipeline
#13
InfluenceFunctional
closed
12 months ago
0
Add useful clustering utility to CSP pipeline
#12
InfluenceFunctional
closed
1 month ago
0
Reimplement 'mini-csp' samplng and analysis
#11
InfluenceFunctional
closed
1 month ago
0
Finalize Blind Test analysis & reporting
#10
InfluenceFunctional
closed
1 year ago
0
Rebuild blind test 5 & 6 dataset with appropriate identifiers
#9
InfluenceFunctional
closed
1 year ago
0
Reimplement extra test set for discriminator evaluation
#8
InfluenceFunctional
closed
1 year ago
0
Crystal builder profiling and speedup.
#7
InfluenceFunctional
opened
1 year ago
1
Strict enforcement of principal inertial canonical directions.
#6
InfluenceFunctional
closed
5 months ago
1
Streamline model configs initialization
#5
InfluenceFunctional
closed
7 months ago
2
Reimplement standalone score model.
#4
InfluenceFunctional
closed
9 months ago
0
Reimplement embedding mode.
#3
InfluenceFunctional
closed
10 months ago
3
Test development
#2
InfluenceFunctional
closed
1 year ago
0
Cleanup
#1
InfluenceFunctional
closed
1 year ago
0
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