yoshida-lab XenonPy issues

yoshida-lab / XenonPy

XenonPy is a Python Software for Materials Informatics

http://xenonpy.readthedocs.io

BSD 3-Clause "New" or "Revised" License

130 stars 57 forks source link

issues

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Community Maintained Verison of `mordred`

#270 JacksonBurns opened 7 months ago
1
Confirming atomic radius/volume data

#269 egsutherland opened 7 months ago
0
Update conda envs

#268 TsumiNa closed 7 months ago
0
Need access to some pretrained models

#267 Grandgrv opened 8 months 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 1 year ago
0
Add MI book exercises

#263 TsumiNa closed 1 year ago
0
Add notebooks for QC/AC prediction

#262 TsumiNa closed 1 year 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 1 year ago
0
Add size option to group based CV

#256 TsumiNa closed 1 year 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 2 years ago
2
Remove GaussianNLLLoss

#249 TsumiNa closed 2 years ago
1
Update docs

#248 TsumiNa closed 2 years ago
2
Bump version to 0.6.0

#247 TsumiNa closed 2 years ago
1
Release v0.6

#246 TsumiNa closed 2 years ago
1
Is there any documentation for units?

#245 AcylSilane closed 2 years ago
5
Update installation.rst

#244 TsumiNa closed 2 years ago
0
Scaler transform or fit functions are actually all becoming fit_transform

#243 stewu5 closed 2 years ago
1
classification_metrics recall & precision not for binary case

#242 stewu5 closed 2 years ago
1
Allow persisit do not save connected model and checkpoints

#241 TsumiNa closed 2 years ago
1
Improve classification metric function

#240 TsumiNa closed 2 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
Replace scipy boxcox with scikit-learn PowerTransform

#222 TsumiNa closed 3 years ago
1
Allow using custom elemental information matrix in compositonal descriptor

#221 TsumiNa closed 3 years ago
1