A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

A knowledge graph and a set of tools for drug repurposing

Hetionet: an integrative network of disease

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).

BitBIRCH clustering algorithm

Awesome list of computational biology.

DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images

Single-Cell (Perturbation) Model Library

Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

💊 AI Research Assistant for Accelerated Drug Discovery. 🦞

Computational Analysis of Novel Drug Opportunities

Method for drug repurposing from knowledge graphs and literature

Scripts and resources to create Hetionet v1.0, a heterogeneous network for drug repurposing

Processed Cell Painting Data for the LINCS Drug Repurposing Project

Multimodal Contrastive Representation Learning in Augmented Biomedical Knowledge Graphs

The official code implementation for DREAMwalk in Python.

DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding affinities, leveraging deep learning for advancing computational drug discovery.