Research Scientist @ IBMResearch.
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reymond-group/CASP-and-dataset-performance
reymond-group/CASP-and-dataset-performance PublicSource code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
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reymond-group/RAscore
reymond-group/RAscore PublicRetrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
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reymond-group/RingBreaker
reymond-group/RingBreaker PublicSource code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring systems. The code does not support full tree search and is intend…
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aizynthfinder
aizynthfinder PublicForked from MolecularAI/aizynthfinder
A tool for retrosynthetic planning
Python
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