Added the notebook and data for band gap prediction example.

7a11bd44 · Lauri Himanen · b1a9dc11 · 7a11bd44 · 7a11bd44 · 7a11bd44
Commit 7a11bd44 authored Aug 03, 2017 by Lauri Himanen
11 changed files
--- a/beaker-notebooks/band_gap_prediction.bkr
+++ b/beaker-notebooks/band_gap_prediction.bkr
--- a/example-data/band-gap-prediction/3366_gap_no_gap_ratio.json
+++ b/example-data/band-gap-prediction/3366_gap_no_gap_ratio.json
--- a/example-data/band-gap-prediction/band_gaps.npy
+++ b/example-data/band-gap-prediction/band_gaps.npy
--- a/example-data/band-gap-prediction/classifications.npy
+++ b/example-data/band-gap-prediction/classifications.npy
--- a/example-data/band-gap-prediction/coulomb_matrix.npy
+++ b/example-data/band-gap-prediction/coulomb_matrix.npy
--- a/example-data/band-gap-prediction/energies.npy
+++ b/example-data/band-gap-prediction/energies.npy
--- a/example-data/band-gap-prediction/ids.npy
+++ b/example-data/band-gap-prediction/ids.npy
--- a/example-data/band-gap-prediction/n_atoms.npy
+++ b/example-data/band-gap-prediction/n_atoms.npy
--- a/example-data/band-gap-prediction/sine_matrix.npy
+++ b/example-data/band-gap-prediction/sine_matrix.npy
--- a/example-data/band-gap-prediction/sorted_coulomb_matrix.npy
+++ b/example-data/band-gap-prediction/sorted_coulomb_matrix.npy
--- a/example-data/band-gap-prediction/sorted_sine_matrix.npy
+++ b/example-data/band-gap-prediction/sorted_sine_matrix.npy