retrosynthesis topic
List
retrosynthesis repositories
CASP-and-dataset-performance
44
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15
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Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
rxn-ebm
28
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7
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Energy-based modeling of chemical reactions
graphretro
39
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12
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Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)
RetroBridge
20
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0
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RetroBridge: Markov Bridge Model for Retrosynthesis Planning
MultiStepRetrosynthesisTTL
15
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4
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Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions