5 results found Sort:

MolecularAI
aizynthfinder MolecularAI
141
643
mit
27
A tool for retrosynthetic planning
astrazeneca cheminformatics neural-networks chemical-reactions reaction-informatics monte-carlo-tree-search
Created 2020-06-11
148 commits to master branch, last one 2 days ago
MolecularAI
REINVENT4 MolecularAI
114
459
apache-2.0
19
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
ai ml chemistry astrazeneca drug-design deep-learning denovo-design generative-ai drug-discovery cheminformatics neural-networks transfer-learning molecule-generation reinforcement-learning
Created 2023-10-20
196 commits to main branch, last one 10 days ago
MolecularAI
Reinvent MolecularAI
110
350
apache-2.0
20
This repository has no description...
astrazeneca denovo-design cheminformatics neural-networks transfer-learning reinforcement-learning
This repository has been archived (exclude archived)
Created 2020-03-17
70 commits to master branch, last one about a year ago
MolecularAI
ReinventCommunity MolecularAI
57
162
mit
12
This repository has no description...
astrazeneca denovo-design cheminformatics neural-networks jupyter-notebook transfer-learning reinforcement-learning
This repository has been archived (exclude archived)
Created 2020-04-06
54 commits to master branch, last one 2 years ago
MolecularAI
DockStream MolecularAI
32
116
apache-2.0
6
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
astrazeneca denovo-design chemoinformatics jupyter-notebook molecular-docking reinforcement-learning
This repository has been archived (exclude archived)
Created 2021-08-02
10 commits to master branch, last one 2 years ago