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matchms
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ms2deepscore
Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
Apache License 2.0
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Start switch to pytorch
#137
florian-huber
closed
8 months ago
1
Generator tests
#136
niekdejonge
closed
1 year ago
2
use dummy data for generator tests
#135
florian-huber
closed
1 year ago
2
Clean up data generators
#134
niekdejonge
closed
1 year ago
1
mass shift data augmentation
#133
niekdejonge
closed
1 year ago
6
Split train and run pipeline
#132
niekdejonge
closed
1 year ago
6
Update CI
#131
florian-huber
closed
1 year ago
1
Update CI
#130
florian-huber
closed
1 year ago
1
Tensorflow issue
#129
niekdejonge
closed
1 year ago
2
Spectrum binner to data generator
#128
niekdejonge
closed
1 year ago
1
Calculate tanimoto scores during training
#127
niekdejonge
opened
1 year ago
4
Generic conversion classes
#126
niekdejonge
closed
1 year ago
0
Remove static branches
#125
niekdejonge
closed
1 year ago
0
Train models with Metadata
#124
niekdejonge
closed
1 year ago
8
Saving model non-working
#123
jbcoffin
closed
1 year ago
6
Include additional inputs and scaling into model
#122
florian-huber
closed
1 year ago
4
Fix loading multi inputs
#121
florian-huber
closed
1 year ago
2
Update to matchms 0.18.0
#120
florian-huber
closed
1 year ago
0
remove_tf_progress_bar
#119
niekdejonge
closed
1 year ago
2
multi_inputs is not automatically detected
#118
niekdejonge
closed
1 year ago
2
Provide trained model with integration test
#117
florian-huber
opened
1 year ago
0
Add Tensorflow 2.8 to tests
#116
florian-huber
closed
1 year ago
1
Additional input parameters
#115
florian-huber
closed
1 year ago
3
update tests to handle Tensorflow 2.11
#114
florian-huber
closed
1 year ago
1
avoid tensorflow 2.11
#113
florian-huber
closed
1 year ago
2
model.save fails
#112
florian-huber
closed
1 year ago
1
Additional input parameters
#111
djoas
closed
1 year ago
2
make_tensorflow_macos_m1_chip_compatible
#110
niekdejonge
closed
1 year ago
3
Possible Fix For macos m1 tensorflow installation issue
#109
kevinmildau
closed
1 year ago
1
Save memory by changing to float16
#108
florian-huber
opened
1 year ago
0
Improve generator performance
#107
florian-huber
closed
8 months ago
7
Improve macos m1 installation instructions
#106
svenvanderburg
closed
2 years ago
1
error: network from MS2deep scores
#105
guikool
closed
2 years ago
3
Install error with tensorflow-macos
#104
guikool
closed
2 years ago
5
Create run_ms2deepscore_model_according_to_paper
#103
niekdejonge
closed
1 year ago
7
Future development (ideas)
#102
florian-huber
closed
8 months ago
1
comment out pylint import-error and fix f-string
#101
florian-huber
closed
2 years ago
1
Upcoming: check for API changes with matchms
#100
florian-huber
closed
1 year ago
1
Fix Tensorflow import errors
#99
svenvanderburg
closed
2 years ago
3
Report duplicate Inchikeys
#98
zdk123
closed
2 years ago
1
Duplicate inchikeys in tanimoto scores triggers opaque error during training
#97
zdk123
closed
2 years ago
7
CITATION.cff fix and automatic validation of your citation metadata
#96
abelsiqueira
closed
2 years ago
1
Update setup.py
#95
florian-huber
closed
2 years ago
2
New Numba 0.54 release has issues with Python 3.7+Ubuntu
#94
florian-huber
closed
2 years ago
2
Address failing CI runs
#93
florian-huber
closed
3 years ago
2
Update SiameseModel to tensorflow 2.6
#92
florian-huber
closed
3 years ago
2
TensorFlow update breaks SiameseModel._construct_from_keras_model()
#91
dianacarvalho1
closed
3 years ago
4
Speed-up spectrum binning
#90
pedrocwb
closed
3 years ago
0
Add version information to saved model
#89
florian-huber
opened
3 years ago
1
Add more flexible binning option
#88
florian-huber
closed
8 months ago
3
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