Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
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Updated
Jun 1, 2024 - Python
Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
The Open Drug Design Pipeline project leverages advanced AI models to re-think an AI first approach to drug discovery
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Message Passing Neural Networks for Molecule Property Prediction
Open Targets python framework for post-GWAS analysis
An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the LifeChemicals library. Use the link below to learn about our other READDI-AViDD projects.
An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the Enamine covalent library. Use the link below to learn about other READDI-AViDD projects.
An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the ChEMBL database. Please use the link below to view all projects in the READDI-AViDD pipeline.
🧪DrugHunter - a web-based application for predicting the pharmacological activity of new drugs
Official implementation of DrugGEN
Design of target-focused libraries by probing continuous fingerprint space with recurrent neural networks. The repository accompanies a research paper which is currently under review (08.04.24)
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science
A common data access layer for AI-driven drug discovery.
PDB-CAT is a Jupyter Notebook that aims to automatically categorize the PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations in the sequence.
Code for paper "A SARS-CoV-2 Interaction Dataset and VHH Sequence Corpus for Antibody Language Models"
A simple-easy to follow tutorial on Drug Discovery with Machine Learning
Tools developed for running end-to-end chemistry workflows on quantum computers and simulators.
The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
Code for NeurIPS 2023 paper "AVIDa-hIL6: A Large-Scale VHH Dataset Produced from an Immunized Alpaca for Predicting Antigen-Antibody Interactions"
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