Skip to content

Latest commit

 

History

History
executable file
·
9 lines (9 loc) · 442 Bytes

README.md

File metadata and controls

executable file
·
9 lines (9 loc) · 442 Bytes
Raw

Utils

MUV - sources and script for creating MUV dataset
tox21 - sources and script for creating tox21 dataset

  1. monitor.py - plot result table of keras model evaluation in (almost) real time
  2. plot_learning_curve.py
  3. generate_plots.py - t-SNE and PCA
  4. draw_smiles.py - SMILES to 2D
  5. plot_results.py - create plots of experiments table
  6. create_final_tables.py - group experiments by models, descriptors and models+descriptors