AstraZeneca - Molecular AI
Software from the Molecular AI department at AstraZeneca R&D
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Showing 10 of 46 repositories
- REINVENT4 Public
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
MolecularAI/REINVENT4’s past year of commit activity - nnaa_synthesizability Public
MolecularAI/nnaa_synthesizability’s past year of commit activity - precedent_finder Public
MolecularAI/precedent_finder’s past year of commit activity - thianthrenation_prediction Public
Hybrid QM/ML workflow for predicting the reaction outcome of aromatic C-H thianthrenation reactions
MolecularAI/thianthrenation_prediction’s past year of commit activity - reaction_utils Public
Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
MolecularAI/reaction_utils’s past year of commit activity - Reinvent Public archive
MolecularAI/Reinvent’s past year of commit activity
