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6 search results found

Aizynthfinder ⭐ 504

A tool for retrosynthetic planning

Reinvent ⭐ 310

Reinvent4 ⭐ 150

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

Reinventcommunity ⭐ 75

Route Distances ⭐ 18

Tools and routines to calculate distances between synthesis routes and to cluster them.

Siamese Rnn Self Attention ⭐ 6

Contains code for Siamese Recurrent Neural Network with Self-Attention for Bioactivity Prediction

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