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theochem
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Selector
Python library of algorithms for selecting diverse subsets of data for machine-learning.
https://selector.qcdevs.org
GNU General Public License v3.0
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Hyperlink Update in Tutorial Notebooks
#271
andruizd
closed
1 month ago
1
Add support of selecting different from subsets proportionately
#270
FanwangM
closed
1 month ago
2
Clean up the distance function kwargs for `DISE`
#269
FanwangM
closed
1 month ago
1
Broken Tutorial Notebook Links
#268
FarnazH
closed
1 month ago
1
Remove unused GitHub Action file for building documentation website
#267
FanwangM
closed
2 months ago
1
Update TOC in website
#266
FanwangM
closed
2 months ago
1
Update README.md
#265
FanwangM
closed
2 months ago
1
Fix the building reference index when `ref_index` is None in `DISE`
#264
FanwangM
closed
2 months ago
1
Update the Jupyter Book
#263
FanwangM
closed
2 months ago
1
Fix the rendering problem
#262
FanwangM
closed
2 months ago
1
Clean up Package PyPI release
#261
FanwangM
closed
2 months ago
1
Add PyPI release yaml file
#260
FanwangM
closed
2 months ago
1
Add PyPI release GitHub Action YAML file
#259
FanwangM
closed
2 months ago
1
Cleaning up
#258
FanwangM
closed
2 months ago
0
Clean up notebooks
#257
FanwangM
closed
2 months ago
1
Improved Diversity Measures
#256
PaulWAyers
opened
2 months ago
0
Add init to measures & similarity measures.
#254
marco-2023
closed
2 months ago
0
Initial draft
#252
FanwangM
closed
3 months ago
0
Update package structure
#251
marco-2023
closed
3 months ago
0
Add tutorial notebook for diversity measures
#250
FanwangM
closed
2 months ago
0
Add support of distance function and flexible reference index for `DISE`
#249
FanwangM
closed
2 months ago
1
Enable the selection with predefined data points for `MaxMin`
#248
FanwangM
closed
2 months ago
1
Enable the selection with predefined data points for `MaxMin` test
#246
FanwangM
closed
3 months ago
1
Enable the selection with predefined data points for `MaxMin` attempt
#245
FanwangM
closed
3 months ago
0
Use lower case argument names following numpy
#244
FanwangM
closed
3 months ago
0
Fix failing tests for `DISE`
#243
FanwangM
closed
3 months ago
1
Script for sampling points from 4-well potential
#242
FarnazH
opened
3 months ago
1
Rename "hypersphere overlap of subset" to "hypersphere_overlap"
#240
FanwangM
closed
3 months ago
1
Add Basic Interfaces and CI/CD for web interface
#239
JackyZzZz
closed
3 months ago
3
Inconsistent results of `Medoid` running on MacOS and Ubuntu
#238
FanwangM
closed
3 months ago
8
Update `scipy` and `pytest` version in pyproject.toml
#237
FanwangM
closed
3 months ago
1
Failing case of `Medoid` method
#236
FanwangM
closed
3 months ago
1
Fix the KD-Tree query return
#235
FanwangM
closed
3 months ago
1
Fix the failing codecov upload
#234
FanwangM
closed
3 months ago
1
Fix failing `CodeCov` report
#231
FanwangM
closed
4 months ago
1
Fix the numerical stability issue of log det function (fixes #229)
#230
FanwangM
closed
4 months ago
1
Overflow issue with `logdet` function for computing the diversity
#229
FanwangM
closed
4 months ago
2
Fix failing HF upload
#228
FanwangM
closed
3 months ago
0
Fixing the HuggingFace Uploading issue for web interface
#227
FanwangM
closed
4 months ago
0
Fix the errors when only some feature columns are constants for `wdud`
#225
FanwangM
closed
4 months ago
1
Add Interface for ```OptiSim``` Algorithm
#224
JackyZzZz
closed
3 months ago
0
Exclude neighbours of the ref_index in DISE algorithm
#223
FarnazH
closed
3 months ago
2
Fixing the depolyment
#222
FanwangM
closed
4 months ago
0
Fix the normalization error in `wdud`
#221
FanwangM
closed
4 months ago
1
Add support for ```MaxSum``` and ```DISE``` Algorithm
#220
JackyZzZz
closed
3 months ago
1
Rename simlarity.py to sim.py
#219
FanwangM
closed
5 months ago
1
Cleaning up the new similarity based methods
#218
FanwangM
opened
5 months ago
0
Add new environment token to fix the failing updating coverage report
#217
FanwangM
closed
5 months ago
2
Refactoring the jupyter notebook
#216
FanwangM
closed
3 months ago
1
Fix the failing testing because of the architecture change of MacOS
#214
FanwangM
closed
5 months ago
1
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