Data description

The data consists of 4,165 ABO3 perovskite-type oxides. Each observation is described by 13 feature columns and 1 class column which identifies it to be either a cubic, tetragonal, orthorhombic, and rhombohedral structure.

v(A) - Valence of A
v(B) - Valence of B
Radius A (r(A)) - ionic radius of A cation
Radius B (r(B)) - ionic radius of B cation
Electronegativity of A (EN(A)) - Average electronegativity value of A cation
Electronegativity of B (EN(B)) - Average electronegativity value of B cation
l(A-O) - Bond length of A-O pair
l(B-O) - Bond length of B-O pair
ΔENR - Electronegativity difference with radius
tG - Goldschmidt tolerance factor
τ - New tolerance factor
Μ - Octahedral factor

From the above link you will be able to download a zip file named 'Dockship.zip’. After you extract this zip file, you will get four files:

train.csv - the training set, which contains the spectrum of 10-mer histograms for each sample
test.csv - the test set; your task is to predict the bacteria species (target) for each row_id
sample_submission.csv- this is the sample submission file for the data sprint

Sample submission: You should submit a CSV file with a header row and the sample submission can be found below:

target
cubic
tetragonal
orthorhombic

rhombohedral

Saving Prediction File & Sample Submission

You can find more details on how to save a prediction file here: https://discuss.dphi.tech/t/how-to-submit-predictions/548

Etc.

Note that the header name should be ‘Lowest distortion’ else it will throw an evaluation error.

Notebook Submission

Steps to follow to submit your notebook:

Go to the Notebook section on this challenge page
Click on the 'Upload Notebook' button on top left corner as shown in the image below:
Make sure to make the visibility of your notebook as 'public' while uploading the notebook.
Provide Notebook Title, Summary, add some tags, go to next, chose a file and click on Upload.

Data Sprint 70 - Crystal Structure Classification

Challenge Starts

Registration Ends

Challenge Ends