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Commit History
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Replace README.md with README_hf.md for Hugging Face
5d37f51 -
Test the deployment
4812a27 -
test deployment
5510bf7
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Test the deployment
00594ea
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Update the workflow
6bf56fa
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Added the interface for Medoid
98aab12 -
Modified the branch for triggering
9bb557d -
Updated the workflow
4204ed6 -
Added interface for GridPartition
451e15f
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Change the workflow for deployment
81e37f9 -
Test Deployment on HuggingFace
5ba13eb -
Added the interface for OptiSim
dec6654
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Merge branch 'main' of https://github.com/JackyZzZz/Selector into algorithm-interface
69dc448 -
Added algorithm-interface branch to Github Actions for testing
a9e1528
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Added page configurations
a9e6c72 -
clear outputs if parameters change for MaxMin and MaxSum
27e92d1 -
Pass fun_dist to MaxSum as an option
c575e1a -
import pairwise_distances for MaxMin
b4b71d7 -
Pass fun_dist to MaxMin as an option
31db46d -
Follow the practice of adding dependencies
Fanwang Meng0abfc30 -
Add missing dependencies when building
Fanwang Meng--no-isolation, -n - disable building the project in an isolated virtual environment. Build dependencies must be installed separately when this option is useda5175fe -
Add `build` as a dependency
Fanwang Meng01f0c8d -
Use `--no-isolation`
Fanwang Meng519cfad -
Fix missing `-m` tag
Fanwang Mengd47eb22 -
Fix error with `twine`
Fanwang Meng9525ba3 -
Fix the error of building packages with `setup.py`
Fanwang Meng1. https://github.com/theochem/Selector/actions/runs/9667829258/job/26671345001 2. https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.htmlbe93c9e -
Relocate the file needed for testing
Fanwang Meng7d96c2e -
Relocate the testing module for similarity based methods
Fanwang Meng5bcdc9a -
Rename simlarity.py to sim.py
Fanwang Mengf980599 -
Cleaning up
Fanwang Meng366c6a7
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Add black fixes
Marco Martínez González49d9525 -
Make small fixes to docstrings
Marco Martínez González2903459 -
Calculate medoid and outlier with inv_order = 1
Marco Martínez González6009e58
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Add select_outlier test
Marco Martínez González715eab6 -
Add select_medoid test
Marco Martínez González0457201 -
Add reference data for isim
Marco Martínez Gonzálezce151d3 -
Rename esim tests and improve tests documentation
Marco Martínez GonzálezRenamed the esim test to be more explicit and improved their documentation. TODO: - Add isim tests - Add esim tests with different k values.0d131dc -
Refactor tests to comply with new nsimilarity api
Marco Martínez GonzálezRefactoresd the tests to comply with the new SimilarityIndex class api. Still missing: - make tests for different inverse orders - make tests for the isim methodb5c9613 -
Add isim method to SimilarityIndex
Marco Martínez González1ed75d7 -
Refactor NSimilarity init
Marco Martínez González2b02bf3
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Add new environment token to fix the failing updating coverage report (#217)
96619af
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First version of DISE algorithm
0b6af8c -
Added the function for clearing outputs
3409e14 -
Update run_algorithm to accommodate init parameters
940552f
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Fixed some typo
9d55512 -
Added starting template for DISE
016b722 -
Added a blank line at the end
930daaf -
Removed duplicate code
2ef7744 -
Created a common file for reused methods
6c55a4f
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Fixed some code convention
242e89e