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QML: Quantum Machine Learning
MIT License
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handling topology only molecules [feature request]
#150
UnixJunkie
opened
1 month ago
0
ModuleNotFoundError: No module named 'numpy'
#149
UnixJunkie
opened
1 month ago
3
wheel problem
#148
zhuolian111
opened
4 months ago
1
Update representations.py
#147
puckvg
opened
11 months ago
0
Add configuration for build time dependencies
#146
EdmundGoodman
opened
11 months ago
1
Installation broken in fresh virtual environments
#145
EdmundGoodman
opened
11 months ago
3
Update representations.py
#144
g-anush
opened
1 year ago
0
Unable to install.
#143
RokeJulianLockhart
opened
1 year ago
0
NameError: name 'Compound' is not defined
#142
zhaohui-accept
opened
1 year ago
0
QML on Apple silicon
#141
viniavila
opened
2 years ago
0
import error
#140
hacret
opened
2 years ago
0
Installation fails on Windows systems with the error: invalid numeric argument '/Wno-maybe-uninitialized'
#139
RAraghavarora
opened
2 years ago
0
BoB seg faulting on MacOS
#138
owencqueen
opened
3 years ago
1
FCHL19 with periodic boundary conditions and OpenMP.
#137
kvkarandashev
opened
3 years ago
4
BoB generation
#136
TDLemonNovecento
opened
3 years ago
0
Time taken to import qml modules
#135
puckvg
opened
3 years ago
1
Installation with Intel compiler fails
#134
ff781
opened
3 years ago
1
Problems with installation
#133
Echo2Lee
opened
3 years ago
7
FHCL19 for periodic systems?
#132
sirmarcel
opened
4 years ago
2
QML install error, MKLROOT not set?
#131
BRS4511
closed
4 years ago
2
Added Wasserstein based kernel
#130
onurcaylak
closed
4 years ago
0
Added Wasserstein based kernel
#129
onurcaylak
closed
4 years ago
0
pip3 install qml error
#128
graggi
closed
4 years ago
2
Remove spurious dependency
#127
ferchault
closed
4 years ago
2
Update representations.py
#126
puckvg
closed
1 year ago
0
Some basic functionality for the Compound class
#125
puckvg
closed
4 years ago
2
Space in -pthread arguments fails compilation
#124
guimaluf
opened
4 years ago
4
Fixes #119
#123
cstein
closed
4 years ago
0
Feature enum style kernel types
#122
cstein
closed
4 years ago
0
Find Python environment MKL
#121
charnley
closed
2 years ago
1
macOS on Travis-CI
#120
RMeli
closed
2 years ago
5
Segmentation fault for test_krr_bob on macOS
#119
RMeli
closed
11 months ago
2
Fixes problem with gaussian kernel and QMLearn
#118
andersx
closed
4 years ago
0
Code for FCHL19
#117
andersx
closed
4 years ago
0
Any documents about the use of FCHL19?
#116
lixinyuu
closed
4 years ago
3
Pull request for CQML extension (2nd trial)
#115
zaspel
opened
4 years ago
0
Pull request for CQML extension
#114
zaspel
closed
4 years ago
1
Per-feature kernel widths
#113
somnambWl
opened
5 years ago
3
MRMP changes
#112
SilviaAmAm
closed
5 years ago
0
Removed all f-code requiring omp_lib from FCHL code
#111
andersx
closed
5 years ago
0
Issue when giving integer values to fchl kernel functions
#110
larsbratholm
opened
5 years ago
0
FCHL example uses old notation
#109
larsbratholm
opened
5 years ago
0
Remove ase and dataprovider
#108
andersx
closed
5 years ago
1
removed old dataprovider and ASE requirements
#107
andersx
closed
5 years ago
1
Remove Dataprovider from data/ remove ASE dependency
#106
andersx
closed
5 years ago
3
Fixed extra space before -lpthread flag
#105
SilviaAmAm
closed
5 years ago
0
Tolerance fix
#104
SilviaAmAm
closed
5 years ago
0
Add ability to create compounds from file-like objects
#103
WardLT
closed
5 years ago
0
Error in test_armp.py//test_predict_fromxyz()
#102
andersx
closed
5 years ago
1
Kernel PCA
#101
andersx
closed
5 years ago
0
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