面向中药小分子发现的开源研究工具。检索疾病通路和成分，核对多个公开数据库是否同时收录，并只在文献写明结合口袋时做分子对接。计算结果用来提出可检验的假设。
Awesome Network Pharmacology
Reproducible R pipeline for network pharmacology analysis of plant extracts — from GC-MS data to pre-docking candidate prioritization
Polypharmacology Toolkit for Traditional Chinese Medicine Research
A Python package for network-based pharmacology and systems-level drug analysis. Integrates Reactome pathway analysis, STRING protein-protein interaction networks, and multi-omics enrichment (GO/KEGG/Reactome).
Reverse screening of traditional Chinese medicine monomers and molecular docking Agent Skill (HERB/TCMSP + AutoDock Vina)
In-silico agent-based framework for coexistence-control of pancreatic cancer (PDAC) via food-medicine-homology compounds
Self-contained R and Python modules for common bioinformatics analyses. Each runs on a bundled example dataset and produces vector, journal-style figures: transcriptomics, single-cell, machine learning, Mendelian randomization, WGCNA, and more.
Comparative Analysis of Network-Based Measures for the Assessment of Drug-Induced Liver Injury
A web-app that integrates and automates parts of the network pharmacology workflow for herbal medicine research, focused on Indonesian medicinal plants.
Code, frozen outputs, prespecifications, and reproducibility materials for the DCSMI evidence-calibration study.
Meta-analysis of COPD alveolar macrophage transcriptomics identifying hub genes and drug repurposing candidates via network pharmacology
Computational medicinal chemistry project integrating molecular docking, network pharmacology, and ADMET prediction to evaluate berberine as a potential therapeutic candidate against Type 2 Diabetes Mellitus.
Network pharmacology & Molecular docking of Green Bean Coffee for anti-obesity.
Network Pharmacology and Molecular Docking Analysis of Kochiae Fructus against Allergic Contact Dermatitis
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