astrazeneca topic
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astrazeneca repositories
aizynthfinder
546
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126
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A tool for retrosynthetic planning
Reinvent
332
Stars
107
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DockStream
98
Stars
30
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DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
ReinventCommunity
145
Stars
57
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graph-neural-networks-for-drug-discovery
91
Stars
35
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DockStreamCommunity
25
Stars
12
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route-distances
19
Stars
5
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Tools and routines to calculate distances between synthesis routes and to cluster them.
REINVENT4
316
Stars
78
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AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.