Upgrades Living Document - Featurizers

[ardunn]

Voxelized spatial correlations

• https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.5.063802
• not sure if code is available?

Delta G descriptor

Originally from #520

• https://www.nature.com/articles/s41467-018-06682-4
• https://github.com/CJBartel/predict-gibbs-energies/blob/master/PredictG.py

Oliynik et al

Originally from #526

• original paper: https://pubs.acs.org/doi/10.1021/acs.chemmater.6b02724
• Table can be found https://github.com/rynmurdock/domain_knowledge/blob/master/data/element_properties/oliynyk.csv

PIEFACE

Originally from #435

• J. Cumby and J. P. Attfield, Ellipsoidal Analysis of Coordination Polyhedra, Nature Communications 14235 (2017), see https://pieface.readthedocs.io/en/latest/ and https://github.com/jcumby/PIEFACE
• More details on Request for PIEFACE site featurizer #435

U-apl

Originally from #344

• https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.214112
• https://gitlab.com/ankitjainmeiitk/abcnn/blob/master/example/FP.py ("energy" part is the output value so it should not be included in the fingerprint.)

Propnet

originally from #335

I think we are getting to the point where propnet descriptors should be integrated into matminer:

https://github.com/materialsintelligence/propnet

Propnet is starting to be relatively mature
We are already doing integrated matminer-propnet tests to see if propnet will accelerate data mining
There are papers coming out that could really benefit from propnet features, e.g. see:
https://arxiv.org/abs/1811.06219

AMP Descriptors

Originally from #256, also closes #282 if bispectrum integrated

• https://amp.readthedocs.io/en/latest/

MBTR via dscribe

Originally from #241

• https://arxiv.org/pdf/1704.06439.pdf
• https://github.com/SINGROUP/dscribe

A3

Originally from #205

• https://aip.scitation.org/doi/pdf/10.1063/1.5020710

Universal fragment descriptors from Isayev et al

Originally from #91

• https://www.nature.com/articles/ncomms15679
• not sure if this is already implemented under a name other than isayev, I could not find it but it might already be in matminer

Bulk metallic glass features

• https://www.sciencedirect.com/science/article/pii/S1359645418306268