Graph convolutional neural network for multirelational link prediction
Computational Cell Biology Simulator & In Silico Drug Testing Platform — C++20/Metal, Novak-Tyson CDK ODE, Fick Diffusion, PhysiPKPD Pharmacodynamics
Write reproducible code for getting and processing ChEMBL
Madrigal: Multimodal AI predicts clinical outcomes of drug combinations from preclinical data
Python implementation of common ADME properties.
Targeted and non-targeted anticancer drugs and drug regimens
A simple machine learning model for small-molecule target prediction in Python.
Free web app to simulate TCI/TIVA (target-controlled infusion/total intravenous anaesthesia)
Dose response curves and DIP rates for cell proliferation data in Python
Calculate chlorpromazine-equivalent doses in R
Web app for high throughput cell proliferation data
Unified Python SDK for OpenFDA, PubMed, and ClinicalTrials.gov with clinical intelligence, interaction detection, and research tools.
☀️ Shiny App: pkr - Noncompartmental analysis https://asan.shinyapps.io/pkrshiny
A Python wrapper for the IUPHAR/BPS Guide to PHARMACOLOGY API
Refactored version of the drc package, a framework for fitting and analyzing dose–response models. This repository restructures the codebase to improve maintainability, transparency, and future development.
A Bio2BEL package for DrugBank (https://www.drugbank.ca)
Awesome Network Pharmacology
Non-compartmental pharmacokinetics analysis for Julia.
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