qzhu2017 PyXtal_ml issues

qzhu2017 / PyXtal_ml

a Python3 library for ML modeling materials properties

MIT License

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issues

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gaussian derivatives

#48 yanxon closed 5 years ago
0
a bug in BOP

#47 qzhu2017 closed 5 years ago
2
bispectrum calc

#46 qzhu2017 opened 5 years ago
8
SNAP

#45 yanxon opened 5 years ago
6
github page for pyxtal_ml

#44 qzhu2017 closed 5 years ago
2
covariance

#43 qzhu2017 opened 5 years ago
18
link the dynamic C library

#42 qzhu2017 closed 5 years ago
1
NAN value in bond_order_params class

#41 David-Zagaceta closed 5 years ago
1
[Concern] Crystal graph

#40 yanxon closed 5 years ago
4
Is there a reason why you add _?

#39 yanxon closed 5 years ago
3
What is the use of this line?

#38 yanxon closed 5 years ago
2
[Bug] main.py is not working

#37 qzhu2017 closed 5 years ago
7
PRDF returning NAN for some structures

#36 David-Zagaceta closed 5 years ago
6
PRDF speed

#35 David-Zagaceta closed 5 years ago
1
[todo] convert the descriptors to pandas dataframe

#34 qzhu2017 closed 5 years ago
1
[Question] how to pass the user defined parameters to ml training

#33 qzhu2017 closed 5 years ago
4
[FYI] Pie Chart

#32 yanxon closed 5 years ago
0
[Plan] add Multiprocessing

#31 qzhu2017 closed 5 years ago
4
[Plan] Productive run on our Ternary system

#30 qzhu2017 opened 5 years ago
0
[Alert] Voronoi isn't working with the main code yet.

#29 yanxon closed 5 years ago
2
[Alert] from pyxtal_ml.descriptors.packing_efficiency import packing_efficiency

#28 yanxon closed 5 years ago
1
[Plan] add feature scaling

#27 yanxon closed 5 years ago
8
[Example]

#26 qzhu2017 closed 5 years ago
3
[Plan] to prepare for documentation

#25 qzhu2017 opened 5 years ago
3
[Announcement] Update you local repo

#24 qzhu2017 closed 5 years ago
2
[Question] How to export the pre-trained model?

#23 qzhu2017 closed 5 years ago
3
[todo] test non-rdf function

#22 qzhu2017 closed 5 years ago
1
[todo] add outlier info in main.py

#21 qzhu2017 closed 5 years ago
1
[Results] Add your results

#20 qzhu2017 closed 5 years ago
0
[Alert] Please test the main.py when your implement the new methods

#19 qzhu2017 closed 5 years ago
2
[ToDo] Rewrite the ADF.py to include DDF as an option

#18 qzhu2017 closed 5 years ago
1
yaml file readability

#17 yanxon closed 5 years ago
9
[call for volunteers] Project function in GitHub

#16 qzhu2017 closed 5 years ago
4
[Plan] Add a step of feature selection in ML pipeline

#15 qzhu2017 closed 5 years ago
7
Wish List for other descriptors

#14 David-Zagaceta opened 5 years ago
45
Wish list for other ML methods

#13 qzhu2017 opened 5 years ago
21
Parameter sets for ML methods

#12 qzhu2017 closed 5 years ago
7
RDF + Chem

#11 yanxon closed 5 years ago
0
General guide in programming

#10 qzhu2017 closed 5 years ago
1
General guides in commits

#9 qzhu2017 closed 5 years ago
4
first complete test

#8 qzhu2017 closed 5 years ago
5
dataset

#7 qzhu2017 closed 5 years ago
4
DDF.py plot_DDF option

#6 David-Zagaceta closed 5 years ago
22
Charge.py

#5 David-Zagaceta closed 5 years ago
11
A package design

#4 qzhu2017 closed 5 years ago
5
Need to add dihedral angle

#3 qzhu2017 closed 5 years ago
1
Needs to implement chemical descriptors

#2 qzhu2017 closed 5 years ago
3
The strategy of finding the bonds

#1 qzhu2017 closed 5 years ago
1