lipinski-rule

Here are 5 public repositories matching this topic...

emmamenegh / DiGress-logical-guidance

Extensions of DiGress for molecular graph generation with logical constraints, focusing on Lipinski’s Rule of Five.

drug-discovery graph-generation generative-models diffusion-models logical-constraints graph-transformer molecular-generation cardinality-constraints classifier-guidance lipinski-rule probabilistic-symbolic

Updated Nov 11, 2025
Python

mike3119 / https-github.com-mike3119-my-project

Star

data collection and analysis project using ChEMBL and RDKit. Includes dataset cleaning, duplicate removal, Lipinski’s Rule of Five filtering, disruptor analysis, and molecular visualization with Python.

cheminformatics numpy seaborn drug-discovery matplotlib rdkit chembl data-cleaning-and-preprocessing 01-bioinformatics lipinski-rule

Updated Sep 9, 2025
Jupyter Notebook

johnnycodes904 / BioinformaticsDemo

Star

Drug Candidate Screener

python bioinformatics smiles-strings computational-drug-discovery lipinski-rule

Updated Jan 12, 2026
Python

s-nandini17 / ADMETrics

Star

Cheminformatics screening tool for early-stage drug discovery. Computes Lipinski's Rule of Five descriptors — molecular weight, LogP, H-bond donors and acceptors — from SMILES input via RDKit, classifying compounds by oral bioavailability potential across interactive Plotly dashboards and a py3Dmol 3D structure inspector.

python bioinformatics cheminformatics plotly computational-chemistry drug-discovery rdkit smiles admet streamlit py3dmol lipinski-rule

Updated Aug 4, 2026
Python

AmirSedaghaati / pubchem-metabolite-descriptor-fetcher

Star

Python + R pipeline for batch PubChem descriptor retrieval and Lipinski/TPSA drug-likeness visualization

python bioinformatics r cheminformatics drug-discovery pubchem lipinski-rule

Updated Sep 17, 2026
Python

Add this topic to your repo

To associate your repository with the lipinski-rule topic, visit your repo's landing page and select "manage topics."

Learn more