A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

An official Molecule Transformer Drug Target Interaction (MT-DTI) model

TIP: Tri-graph Interaction Propagation model for Polypharmacy Side Effect Prediction (GRL@NeurIPS, 2019)

MyChem.info: A BioThings API for chemical/drug annotations

Scrapy-Django PostgreSQL integrated API with Proxy IP configuration that scrapes all medicine data (meds, prices, generics, companies, indications) from Bangladesh (30k+ pages)

N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)

LLM for Drug Editing, ICLR 2024

A search engine for drug information built with Flask.

ISCMF: Integrated Similarity-Constrained Matrix Factorization for Drug-Drug Interaction Prediction

de novo drug design (joint project)

PyPI Package: An easy-to-use medication/drug code mapping tool

A Comprehensive, Free, and Fast-Responsive Ligand-Based Drug Design Platform

User-friendly interface to explore the behaviour of a basic pharmokinetics model.

Fully working version

Strategy MMIC for molecular docking

GUI for drug and phenotype ontology visualization

⚡ A package to automate quantum mechanical calculations and molecular dynamics simulations of drugs.

Lista de Medicamentos Esenciales y Comercializados en Venezuela en formato JSON.