Popular repositories Loading

1. sol-predict sol-predict Public

   Predicting Aqueous Solubility via Molecular Descriptors (Machine Learning intro)

   Python

2. aact_clinical_warehouse aact_clinical_warehouse Public

   A data engineering pipeline and Tableau dashboard analyzing late-stage clinical trial efficiency.

   SQL

3. admet-llm admet-llm Public

   A hybrid LLM-XGBoost pipeline for hERG toxicity prediction.

   Jupyter Notebook

4. leadoptima-mpo leadoptima-mpo Public

   An automated combinatorial scaffold-hopping and multi-parameter optimization (MPO) pipeline.

   Python

5. peptide-analogs peptide-analogs Public

   De novo peptide design pipeline optimizing a CD109-CD26 disruptor from 5,000 candidates to synthesis-ready analogs.

   Jupyter Notebook