Scribble

Scribble

• PyMC exercises github repository
  1. Bayes least square (sparse modeling with flexible loss function)
  2. the number of messages
  3. AB test to estimate effects of two websites
  4. Causal analysis for defects of space ship Challenger
  5. Bayesian Gaussian Mixture Model
• Cheminformatics
  1. Get SMILES for fragments extracted by Morgan algorithm
  2. Join two substructures on RDKit
  3. Save a figure of SimilarityMaps
  4. Extract Linear Fragments
  5. Easy Structure Generation – BRICS
  6. PLS Applicability Domains
  7. Variable Importance in Projection - variable importance for PLS
  8. GPR Estimation of Solubility
  9. Ternary plot and Dirichlet MLE
  10. log S prediction with Random Forest
  11. Tanimoto kernel is better than Dice kernel.
  12. Attributes Retreival from Pymatgen Element Class
  13. Failed to fit GPR to the data; full-scratch
  14. Bayesian optimization for sample aquisition in QSPR projects
• Soft-sensors
  1. Four datasets overview
  2. Just-in-Time modeling
• OpenCV and other image processing
  1. Rotation of a checkered square after detection of edge lines
  2. Canny Edge Detection on Jupyter Notebook
• Notes about math, statistics, machine learning
  1. Features of Dirichlet distribution
  2. Gensim word2vec vs. fastText in L2-norm
  3. Kernel PCA Demo
  4. Linear SVM - basic implementation
  5. SVR contribution calculation derived by the differentiation
• Documents (PDFs)
  1. Dirichlet distribution
  2. Expected improvement for Bayes optimization (ja)