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yoshida-lab
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XenonPy
XenonPy is a Python Software for Materials Informatics
http://xenonpy.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Feature/reactivate py37 test#27
#71
TsumiNa
closed
5 years ago
1
Feature/pass smiles through when get prob error#69
#70
TsumiNa
closed
5 years ago
1
get_prob error causes interruption
#69
stewu5
closed
5 years ago
0
[RFC] too complex to install
#68
nim-hrkn
opened
5 years ago
2
Release v0.2.3
#67
TsumiNa
closed
5 years ago
1
fix JSONDecodeError overwite to HTTPError
#66
Yamazaki-Youichi
closed
5 years ago
2
[RFC][WIP] Add more query functions into MDL
#65
TsumiNa
closed
4 years ago
0
HTTPError message does not shown when response return 504
#64
Yamazaki-Youichi
closed
5 years ago
6
release v0.2.1
#63
TsumiNa
closed
5 years ago
1
Implement MDL features
#62
TsumiNa
closed
5 years ago
1
[WIP] Implement MDL features
#61
TsumiNa
closed
5 years ago
0
Merge develop to master
#60
TsumiNa
closed
5 years ago
1
Add iQSPR and some improvements
#59
TsumiNa
closed
5 years ago
1
Add inverse generator iQSPR
#58
TsumiNa
closed
5 years ago
1
[WIP] Add Fine Tuning
#57
TsumiNa
closed
4 years ago
0
Let fingerprint featurizers transform SMILES directly
#56
TsumiNa
closed
5 years ago
1
[WIP] Let fingerprint featurizers transform SMILES directly
#55
TsumiNa
closed
5 years ago
0
pre-release v0.1.10
#54
TsumiNa
closed
5 years ago
0
Add error handling to "BaseFeaturizer" class
#53
TsumiNa
closed
5 years ago
1
[WIP] Add error handling to "BaseFeaturizer"
#52
TsumiNa
closed
5 years ago
0
fix signature errors in fingerprint featurizers
#51
TsumiNa
closed
5 years ago
0
Rename fingerprint feature and add "RdkitFP" featurizer
#50
TsumiNa
closed
5 years ago
1
Rename fingerprint feature and add "RdkitFP" featurizer
#49
TsumiNa
closed
5 years ago
0
Add "output_layer" parameter to NN model generator classes
#48
TsumiNa
closed
5 years ago
1
Add feature selection for "BaseDescriptor" class
#47
TsumiNa
closed
5 years ago
0
[WIP] Add iqspr
#46
TsumiNa
closed
5 years ago
0
Add one-hot-vector encoding for elements in Compositional descriptor.
#45
TsumiNa
closed
5 years ago
0
[WIP] Add option for user specific clustering index into "DescriptorHeatmap".
#44
TsumiNa
closed
3 years ago
0
Implement "FrozenFeaturizer" class
#43
TsumiNa
closed
5 years ago
1
Implement "FrozenFeaturizer" class
#42
TsumiNa
closed
5 years ago
0
Add "output_layer" parameter to NN model generator classes
#41
TsumiNa
closed
5 years ago
0
[WIP] Refactor NN model runner
#40
TsumiNa
closed
5 years ago
0
Update LICENSE's copyright year
#39
TsumiNa
closed
5 years ago
0
fix precision error when calculate bins
#38
TsumiNa
closed
5 years ago
1
merge develop into master
#37
TsumiNa
closed
5 years ago
0
Class Splitter add cv method
#36
TsumiNa
closed
5 years ago
1
fix some docs: spell miss and docker usage in installation.rst
#35
TsumiNa
closed
5 years ago
0
Update fingerprint.py
#34
stewu5
closed
5 years ago
2
Develop
#33
TsumiNa
closed
5 years ago
0
fix pip deploy
#32
TsumiNa
closed
5 years ago
0
pre-release v0.1.9
#31
TsumiNa
closed
5 years ago
1
Class Splitter add cv method
#30
TsumiNa
closed
5 years ago
0
update
#29
TsumiNa
closed
5 years ago
1
Update fingerprint.py
#28
stewu5
closed
5 years ago
1
[RFC] Remove python3.7 support
#27
TsumiNa
closed
5 years ago
2
Merge OFM codes and some doc updates
#26
TsumiNa
closed
5 years ago
1
fix readme
#25
TsumiNa
closed
5 years ago
0
some grammar/spell fix
#24
TsumiNa
closed
5 years ago
0
update docs
#23
TsumiNa
closed
5 years ago
0
Merge OFM codes
#22
TsumiNa
closed
5 years ago
0
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