Open Targets python framework for post-GWAS analysis
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Updated
Jun 4, 2024 - Jupyter Notebook
Open Targets python framework for post-GWAS analysis
Message Passing Neural Networks for Molecule Property Prediction
Comprehensive resource for molecular studies, featuring SQL scripts for ChEMBL database analysis and detailed molecular dynamics simulation protocols. Ideal for computational chemistry and drug discovery research.
An SGC Open Chemistry Networks Project (number 19) dedicated to finding hits vs CHIKV nsp2 helicase based on a HTS of a Enamine Covalent library.
Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science
The Ersilia Model Hub, a repository of AI/ML models for infectious and neglected disease research.
This project aims to develop a chemical probe of CHIKV-nsP3-macrodomain starting from a fragment screen
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Official implementation of DrugGEN
MoleculeKit: Your favorite molecule manipulation kit
An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on the results from a virtual screening campaign of the Enamine REAL space to identify hits. Use the link below to learn about other READDI-AViDD projects.
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)
HTMD: Programming Environment for Molecular Discovery
Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
Source code and data for "Natural products have increased rates of clinical trial success throughout the drug development process"
Protein Graph Library
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.
A common data access layer for AI-driven drug discovery.
Deep learning for protein science
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