AstraZeneca - Molecular AI

icon location Software from the Molecular AI department at AstraZeneca R&D

Results 22 repositories owned by AstraZeneca - Molecular AI

aizynthfinder

546
Stars
126
Forks
Watchers

A tool for retrosynthetic planning

verified publisher icon MolecularAI

Reinvent

332
Stars
107
Forks
Watchers

verified publisher icon MolecularAI

GraphINVENT

350
Stars
76
Forks
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Graph neural networks for molecular design.

verified publisher icon MolecularAI

DockStream

98
Stars
30
Forks
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DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

verified publisher icon MolecularAI

ReinventCommunity

145
Stars
57
Forks
Watchers

verified publisher icon MolecularAI

deep-molecular-optimization

139
Stars
36
Forks
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Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer

verified publisher icon MolecularAI

Chemformer

173
Stars
32
Forks
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verified publisher icon MolecularAI

DockStreamCommunity

25
Stars
12
Forks
Watchers

verified publisher icon MolecularAI

Icolos

52
Stars
13
Forks
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Icolos: A workflow manager for structure based post-processing of de novo generated small molecules

verified publisher icon MolecularAI

Lib-INVENT

50
Stars
28
Forks
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verified publisher icon MolecularAI