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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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Compositions' object has no attribute 'elemental_info'
#272
antonf-ekb
opened
3 months ago
0
Move xenonpy to poetry and devcontainer
#271
TsumiNa
opened
4 months ago
0
Community Maintained Verison of `mordred`
#270
JacksonBurns
opened
11 months ago
1
Confirming atomic radius/volume data
#269
egsutherland
opened
11 months ago
0
Update conda envs
#268
TsumiNa
closed
12 months ago
0
Need access to some pretrained models
#267
Grandgrv
opened
1 year ago
1
MDL().version connection error
#266
kcdebendra
opened
1 year ago
1
Update iQSPR.ipynb
#265
eltociear
closed
1 year ago
1
Add-warning-for-mi-book
#264
TsumiNa
closed
2 years ago
0
Add MI book exercises
#263
TsumiNa
closed
2 years ago
0
Add notebooks for QC/AC prediction
#262
TsumiNa
closed
2 years ago
0
fix typos
#261
e-kwsm
closed
2 years ago
1
(Bug Report)Calculated Orbital Frame Matrix is always 0.
#260
Shunichirou-Watanabe
opened
2 years ago
0
Update examples
#259
TsumiNa
closed
2 years ago
0
Fix __repr__ error on `BaseCompositionFeaturizer`
#258
TsumiNa
closed
2 years ago
1
PEP8 fixes
#257
e-kwsm
closed
2 years ago
0
Add size option to group based CV
#256
TsumiNa
closed
2 years ago
0
Add default support to binary classification for classification_metric
#255
stewu5
opened
2 years ago
0
Fix 'GaussianLogLikelihood' object has no attribute 'descriptor' error
#254
TsumiNa
closed
2 years ago
1
RuntimeError: Min sample_order must not be smaller than max sample_order
#253
krk-krk-krk
closed
2 years ago
9
HTTPError: status_code: 502, Server did not responce
#252
remseven
opened
2 years ago
11
'NGram' object has no attribute '_sample_order'
#251
rnaimehaom
opened
2 years ago
14
Xenonpy_Issue_scipy_dependency
#250
deepakorani
closed
3 years ago
2
Remove GaussianNLLLoss
#249
TsumiNa
closed
3 years ago
1
Update docs
#248
TsumiNa
closed
3 years ago
2
Bump version to 0.6.0
#247
TsumiNa
closed
3 years ago
1
Release v0.6
#246
TsumiNa
closed
3 years ago
1
Is there any documentation for units?
#245
AcylSilane
closed
2 years ago
5
Update installation.rst
#244
TsumiNa
closed
3 years ago
0
Scaler transform or fit functions are actually all becoming fit_transform
#243
stewu5
closed
3 years ago
1
classification_metrics recall & precision not for binary case
#242
stewu5
closed
3 years ago
1
Allow persisit do not save connected model and checkpoints
#241
TsumiNa
closed
3 years ago
1
Improve classification metric function
#240
TsumiNa
closed
3 years ago
1
Release v0.5.2
#239
TsumiNa
closed
3 years ago
0
Add warming up to Validator
#238
TsumiNa
closed
3 years ago
1
Add kernel mean descriptor for composition
#237
TsumiNa
opened
3 years ago
1
Add Python 3.8 into test env
#236
TsumiNa
closed
3 years ago
1
Restrict pymatgen version to under 2022
#235
TsumiNa
closed
3 years ago
1
how to train the pre-trained model in XenonPy.MDL
#234
yoshida-chem
closed
3 years ago
3
Add "only_best_status" option to Persist
#233
TsumiNa
closed
3 years ago
2
Update modifier.py
#232
stewu5
closed
3 years ago
3
NGram and iQSPR errors in XenonPy 0.5.1
#231
bcanault
opened
3 years ago
5
release v0.5.1
#230
TsumiNa
closed
3 years ago
0
Add return probability option to TensorConvert
#229
TsumiNa
closed
3 years ago
1
rdkit_desc_update
#228
stewu5
closed
3 years ago
2
New feature st
#227
stkTNGW
closed
3 years ago
1
Update dependencies in pip installation
#226
TsumiNa
closed
3 years ago
0
update of rdkit 2020.09 result in change of descriptor length
#225
stewu5
closed
3 years ago
0
Compounds not found in Material Project
#224
alejagd
opened
3 years ago
8
Release v0.5.0
#223
TsumiNa
closed
3 years ago
2
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