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6 search results found
Aizynthfinder
⭐
504
A tool for retrosynthetic planning
Reinvent
⭐
310
Reinvent4
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150
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Dockstream
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76
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
Route Distances
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18
Tools and routines to calculate distances between synthesis routes and to cluster them.
Siamese Rnn Self Attention
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6
Contains code for Siamese Recurrent Neural Network with Self-Attention for Bioactivity Prediction
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