Drug Discovery
Showing 16 of 52 projects
A curated list of resources for molecular docking, protein-protein docking, and related computational biology tasks.
A curated collection of readings and resources for relational deep learning models applied to drug pair scoring tasks.
A curated collection of resources and survey paper on relational deep learning methods for drug pair scoring tasks.
A Ruby on Rails web application for querying and exploring drug-gene interaction data from The Genome Institute's database.
A curated list of software, datasets, and publications for image-based profiling of biological phenotypes in drug discovery and cell biology.
A curated list of software, datasets, and publications for image-based profiling of biological phenotypes in drug discovery and cell biology.
An open-source biomedical knowledge graph for drug discovery, precision medicine, and drug repurposing research.
A neural network model that integrates neighbor information from heterogeneous networks to discover new drug-target interactions.
A curated database of mechanistic paths from drugs to diseases via biological entities, using the Biolink Model for semantic interoperability.
Toy toolkit, toy language, with moral support @rustlang_ru community
A machine learning pipeline that predicts 70 cell health phenotypes from Cell Painting image-based morphology profiles.
A sequential model optimization platform that uses active learning to discover synergistic drug combinations for cancer treatment with minimal screening.
A cheminformatics modeling laboratory for fitting and assessing machine learning models, tailored to virtual screening for drug discovery.
Accelerated structure similarity searching for large small molecule datasets using embedding and indexing.
A deep learning model for predicting cancer drug response using data enhancement and edge-collaborative update strategies.
A multi-channel neural network for predicting compound-protein interactions using molecular and protein sequence embeddings.
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