AstraZeneca - Molecular AI
Software from the Molecular AI department at AstraZeneca R&D
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Showing 10 of 49 repositories
- atom-bond-featurizer Public
A Python package for the calculation of features and descriptors for atoms and bonds in molecules.
MolecularAI/atom-bond-featurizer’s past year of commit activity - 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 - MonoSeqCP Public
MolecularAI/MonoSeqCP’s past year of commit activity - route-distances Public archive
Tools and routines to calculate distances between synthesis routes and to cluster them.
MolecularAI/route-distances’s past year of commit activity - pysmilesutils Public archive
Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
MolecularAI/pysmilesutils’s past year of commit activity - Chemformer Public archive
MolecularAI/Chemformer’s past year of commit activity
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