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QML: Quantum Machine Learning
MIT License
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Kernel PCA
#101
andersx
closed
5 years ago
0
Added padding option for ACSF
#100
andersx
closed
2 years ago
0
Fixed error and warnings caused by latest numpy 1.16.0
#99
andersx
closed
5 years ago
0
Develop
#98
SilviaAmAm
closed
5 years ago
0
Dataset downloaders
#97
eickenberg
closed
5 years ago
1
Fixes OMP memory issues in ACSF
#96
larsbratholm
closed
5 years ago
0
Omp reduction bugfix
#95
larsbratholm
closed
5 years ago
1
Develop
#94
SilviaAmAm
closed
5 years ago
0
Changed linear fit to lasso regression
#93
larsbratholm
closed
5 years ago
0
continue->cycle
#92
larsbratholm
closed
5 years ago
0
Temporary fix for issue #90
#91
SilviaAmAm
closed
5 years ago
0
OpenMP problem in acsf generation with gradients
#90
SilviaAmAm
closed
5 years ago
0
Removed pesky u-umlaut
#89
larsbratholm
closed
5 years ago
0
Minor bugfixes, including #86
#88
larsbratholm
closed
5 years ago
0
Documentation missing in FCHL
#87
larsbratholm
opened
5 years ago
1
FCHL python/fortran interface bug
#86
larsbratholm
closed
5 years ago
2
Fixed race condition in fchl global kernels
#85
andersx
closed
5 years ago
0
Possible race condition in symmetric global kernel
#84
andersx
closed
5 years ago
1
Added python interface to symmetric vector kernels
#83
larsbratholm
closed
5 years ago
0
Qmlearn
#82
larsbratholm
closed
5 years ago
0
Symmetric Kernels
#81
larsbratholm
closed
5 years ago
1
Look into using dask for distributed computations
#80
larsbratholm
opened
5 years ago
0
Fchl merge
#79
andersx
closed
6 years ago
0
Fchl merge
#78
andersx
closed
6 years ago
0
Bug fix to acsf fortran code
#77
larsbratholm
closed
6 years ago
0
Bug fix to acsf fortran code
#76
larsbratholm
closed
6 years ago
1
Removes U-umlaut characters causing a problem with setup.py and pip
#75
andersx
closed
6 years ago
0
Hotfix for unicode error / updated author list
#74
larsbratholm
closed
6 years ago
2
UnicodeDecodeError from setup.py
#73
mikstr
closed
6 years ago
6
MPI driver prototype
#72
ferchault
closed
6 years ago
0
Directory structure
#71
andersx
closed
6 years ago
0
Include compiler and link information in help
#70
charnley
opened
6 years ago
0
Minor docs changes
#69
berquist
closed
6 years ago
3
move qml.ml.* python modules to qml.*
#68
andersx
closed
6 years ago
2
Closes #62
#67
larsbratholm
closed
6 years ago
0
New Examples
#66
SilviaAmAm
closed
6 years ago
2
Atom centered symmetry functions (#64)
#65
larsbratholm
closed
6 years ago
0
Atom centered symmetry functions
#64
larsbratholm
closed
6 years ago
0
Remove most of qml7 xyz files
#63
larsbratholm
opened
6 years ago
1
Add license information to all files, re-update author list
#62
andersx
closed
6 years ago
0
Add examples/documentation for Aglaia module
#61
andersx
closed
6 years ago
0
updated readme, removed redundant readme, changed mkldiscover message
#60
charnley
closed
6 years ago
5
Verbose options for output
#59
andersx
opened
6 years ago
0
Compiler warnings
#58
andersx
opened
6 years ago
2
Add OSX to travis build
#57
larsbratholm
opened
6 years ago
0
Create notebook from the ./examples
#56
larsbratholm
opened
6 years ago
0
Change examples/tutorials to jupyter notebooks
#55
larsbratholm
opened
6 years ago
1
Merge in qmlcode/tutorials notebooks
#54
larsbratholm
opened
6 years ago
1
Update docs to restructure
#53
larsbratholm
opened
6 years ago
0
Anaconda deployment
#52
larsbratholm
opened
6 years ago
5
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