Sebastian Raschka
Sebastian Raschka
smilite
A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
protein-science
A collection of useful tutorials for Protein Science
2021-pydata-jeddah
Materials for "Transformers from the Ground Up" at PyData Jeddah on August 5, 2021
b3-basic-batchsize-benchmark
Experiments for the blog post "No, We Don't Have to Choose Batch Sizes As Powers Of 2"
BondPack
A collection of PyMOL plugins to visualize atomic bonds.
Hbind
Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structure input. Raschka et al. (2018) J. Computer-Aided Molec. Design
interpretable-ml-article
Code examples for my Interpretable Machine Learning Blog Series
machine-learning-notes
Collection of useful machine learning codes and snippets (originally intended for my personal use)
markdown-toclify
A Python command line tool that creates a Table of Contents for Markdown documents