My brief background introduction can be accessed here via my blog, which showcases several different cheminformatics, machine learning and data science projects using various software toolkits. The main project I've been working on lately is the tree series in machine learning on ChEMBL-derived data (with repositories shown in the pinned section below e.g. decision tree and random forest). There are also several other side projects that I've worked on over the past year such as:
-
Working with scaffolds in small molecules - Manipulating SMILES strings
-
Molecular visualisation (Molviz) web application - Using Shiny for Python web application framework (interactive data table part)
-
Shinylive app in Python - Embedding app in Quarto document (app embedded in web page) & using pyodide.http to import csv files
-
Small molecules in ChEMBL database - Series 1.1 - Polars dataframe library and machine learning in scikit-learn
-
Small molecules in ChEMBL database - series 1.2 - Cross-validation & hyper-parameter tuning with scikit-learn
-
Small molecules in ChEMBL database - series 1.3 - Re-training & re-evaluation with scikit-learn
Open-source contributions: practical_cheminformatics_tutorials, chembl_downloader
React
Typescript
Django
Laravel
Facebook
Microsoft
Google
Alibaba
D3
Tencent