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).

Awesome list of computational biology.

BitBIRCH clustering algorithm

💊 AI Research Assistant for Accelerated Drug Discovery. 🦞

Single-Cell (Perturbation) Model Library

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

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

Computational Analysis of Novel Drug Opportunities

Processed Cell Painting Data for the LINCS Drug Repurposing Project

Method for drug repurposing from knowledge graphs and literature

Multimodal Contrastive Representation Learning in Augmented Biomedical Knowledge Graphs

A curated list of FREE courses available online from top universities of the world on Computational Biology and Bioinformatics.

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

Graph AI generates neurological hypotheses validated in molecular, organoid, and clinical systems