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theochem
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procrustes
Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
https://procrustes.qcdevs.org/
GNU General Public License v3.0
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Refactor permutation
#97
FarnazH
closed
3 years ago
6
Add notebook for quick start
#96
FanwangM
closed
3 years ago
0
Rearrange website content
#95
FarnazH
closed
3 years ago
3
Update reference related statements in docstring in softassign
#94
FanwangM
closed
3 years ago
0
Update README.md with activating virtual env
#93
FanwangM
closed
3 years ago
0
Fix softassign formulation and add space for table
#92
FanwangM
closed
3 years ago
0
Add conda build conda recipe, meta.yaml
#91
FanwangM
closed
3 years ago
0
Refactor jupyter notebook for ranking example
#90
FanwangM
closed
3 years ago
7
Refactor Jupyter notebook for atom mapping example
#89
FanwangM
closed
3 years ago
1
Refactor chirality checking example
#88
FanwangM
closed
3 years ago
0
Refactor Jupyter file for protein structure alignment example
#87
FanwangM
closed
3 years ago
3
Lapack driver
#86
Ali-Tehrani
closed
3 years ago
2
Refactor permutation and permutation test
#85
Ali-Tehrani
closed
3 years ago
2
One-Sided Procrustes for Toeplitz matrices
#84
PaulWAyers
opened
3 years ago
5
Refactor permutation two sided
#83
Ali-Tehrani
closed
3 years ago
11
Update 1-sided permutation docstring & args name
#82
FarnazH
closed
3 years ago
0
Refactor kopt
#81
FarnazH
closed
3 years ago
0
Optimization over doubly-stochastic matrices
#80
PaulWAyers
opened
3 years ago
0
More efficient evaluation of the error function for k-opt
#79
PaulWAyers
closed
3 years ago
1
lapack_driver argument
#78
FarnazH
closed
3 years ago
1
Change svd
#77
Ali-Tehrani
closed
3 years ago
2
Generalized Procrustes
#76
FarnazH
opened
3 years ago
8
Refactor test orthogonal
#75
Ali-Tehrani
closed
3 years ago
1
Fix readthedocs build error by adding missing {}
#74
FanwangM
closed
3 years ago
0
Update orthogonal documentation & arguments
#73
FarnazH
closed
3 years ago
0
Add summary table for Sphinx RST files
#72
FanwangM
closed
3 years ago
1
Add References to Docstrings
#71
FarnazH
closed
3 years ago
0
Refactor test symmetric.py
#70
Ali-Tehrani
closed
3 years ago
3
Test error in "SVD Converge" in generic.py
#69
Ali-Tehrani
closed
3 years ago
10
Update
#68
FarnazH
closed
3 years ago
4
Make 2-sided Procrustes error match |SAT-B|
#67
FarnazH
closed
3 years ago
0
Refactor test rotational.py
#66
Ali-Tehrani
closed
3 years ago
0
Improve efficiency of kopt implementation
#65
FarnazH
opened
3 years ago
1
Add RST linter
#64
FanwangM
closed
3 years ago
0
Update rotational & 1-sided orthogonal
#63
FarnazH
closed
3 years ago
0
Refactor kopt Module
#62
FarnazH
closed
3 years ago
2
Use random matrices for genric Procrustes tests
#61
FarnazH
closed
3 years ago
6
Add testing support for Python 3.9
#60
FanwangM
closed
3 years ago
0
Add Style checker for Sphinx RST files with doc8
#59
FanwangM
closed
3 years ago
4
Add RST file for kopt module
#58
FanwangM
closed
3 years ago
1
Update header and refactor installation guide
#57
FanwangM
closed
3 years ago
0
Replace Travis CI badge with GitHub Actions one
#56
FanwangM
closed
3 years ago
0
Refactor
#55
FarnazH
closed
3 years ago
2
Update and polish the sphinx docs
#54
FanwangM
closed
3 years ago
4
Fix sphinx building problem
#53
FanwangM
closed
3 years ago
0
Rename package name: procrustes -> qc-procrustes
#52
FanwangM
closed
3 years ago
0
Fix Binder and jupyter notebooks
#51
FanwangM
closed
3 years ago
0
General 2-sided Procrustes Problem
#50
PaulWAyers
closed
3 years ago
1
2-sided Orthogonal Procrustes for Rectangular Matrices
#49
PaulWAyers
opened
3 years ago
0
Refactor compute_error and ProcrustesResult
#48
FarnazH
closed
3 years ago
1
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