deeplearning-biology

DeepPurpose is a deep learning library for compound and protein modeling. It supports drug-target interaction (DTI) prediction, drug property prediction, protein-protein interaction (PPI) prediction, and drug-drug interaction (DDI) prediction. The tool can be applied in drug repurposing, virtual screening, and QSAR.

torchdrug is a machine learning platform for drug discovery. It provides tools and functionalities for tasks such as chemical property prediction and drug-target interaction. The platform is designed to be flexible and powerful for researchers in the field of drug development.

MaSIF (Molecular Surface Interaction Fingerprints) is a tool that uses geometric deep learning to analyze patterns in protein molecular surfaces. It helps decipher molecular surface interactions, which is useful in drug discovery and understanding protein functions. MaSIF prepares data and provides applications for molecular analysis.

Deepchem is an open-source library on GitHub democratizing deep learning for drug discovery, quantum chemistry, materials science, and biology. It provides tools and resources for researchers in these fields to apply deep learning techniques. The library is free to use and contribute to.

chemprop is an open-source tool for molecule property prediction. It utilizes message passing neural networks. The tool is designed for researchers and data scientists in chemical informatics. It is available on GitHub under the MIT license.

igv is a visualization tool for genomics data and annotations. It is designed for fast, efficient, and scalable visualization. The tool is available as a desktop application for Mac, Windows, and Linux, enabling researchers to explore genomic information.