Modern and fast molecular analysis and modeling library for C++ and Python
-
Updated
Apr 21, 2025 - C++
#
molecular-analysis
Here are 5 public repositories matching this topic...
This project implements a Graph Neural Network (GNN) model for classifying molecules in the context of Traditional Chinese Medicine drug-likeness. The model uses molecular graph representations and deep learning techniques to predict whether a given molecule is druglike
bioinformatics clustering transformer molecular-analysis fragment-analysis gnn traditional-chinese-medicine drug-likeness
-
Updated
Sep 28, 2024 - Jupyter Notebook
🧬 BIOINFORMATICS for Beginners: RNA-Seq
bioinformatics rna-seq genomics drug-discovery environmental-monitoring molecular-analysis agricultural-biotechnology
-
Updated
Dec 13, 2025
Semi-automated pipeline for compound data curation (PubChem API) and target prediction (SwissTargetPrediction) with logging, validation, and web automation support.
bioinformatics cheminformatics python-script computational-biology open-science drug-discovery data-cleaning target-prediction selenium-automation natural-products molecular-analysis compound-curation swisstargetprediction smiles-notation
-
Updated
Jul 12, 2025 - Jupyter Notebook
Quickstart for hole program
-
Updated
Jul 15, 2026 - Python
Add this topic to your repo
To associate your repository with the molecular-analysis topic, visit your repo's landing page and select "manage topics."