Alex Dunn

icon indicating a website link https://ardunn.us

icon company @hackingmaterials, @TRI-AMDD icon location Truckee, CA icon location Recent PhD graduate from UC Berkeley. Computer enthusiast. I specialize in data mining and AI approaches to discover new materials.

Results 115 comments of Alex Dunn

New Featurizers (removing old, ineffective ones)

update: added soap thru matminer [#370](https://github.com/hackingmaterials/matminer/pull/370)

New Featurizers (removing old, ineffective ones)

Consider adding a featurizer which searches MP for close stoichiometries and determines the energy with respect to the hull by just drawing a line between its neighbors etc. (some problems...

Add a simple MLP model to the TPOT config

also look into a semi-dnn model

Add a simple MLP model to the TPOT config

also look into nonlinear SVR/SVC

remove matbench/dev framework, and update docs to matbench website

including remove #164

Predicting on large DF runs into infinite loop

Hey @janosh thanks for the bug report. I've been aware of this problem for some time and am actually currently running some tests to try and pinpoint it. I actually...

Predicting on large DF runs into infinite loop

https://matsci.org/t/autofeaturizer-stuck-at-sinecoulomb-matrix/34423

Predicting on large DF runs into infinite loop

https://matsci.org/t/compositiontooxidcomposition-hangs/34383/3

fix joblib warning from importlib

related to https://github.com/hackingmaterials/matminer/pull/418

fix joblib warning from importlib

sklearn update didn't fix it :/ not that important and may be important in future, going to keep for now