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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.

igv.js is an embeddable genomic visualization component based on the Integrative Genomics Viewer. It allows developers to integrate interactive genome visualization into web applications. The component is developed by the IGV team and offers similar functionality in a web-friendly format.

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.

EquiBind is a geometric deep learning model for predicting the 3D structure of small molecules binding to proteins. It uses SE(3)-equivariant geometric deep learning to predict receptor binding locations. EquiBind aims to accelerate drug discovery by enabling fast and accurate binding structure predictions. It is available as an open-source tool.

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.