DeepSynthesis
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etherReactionOptimization
etherReactionOptimization PublicAI guided new reaction discovery and optimization pipeline for synergistic cobalt enamine catalysis
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.github
.github PublicOur goal is to integrate artificial intelligence technology into the science of chemistry, with a particualr focus on the investigation of chemical property, reactivity, and selectivity as well as …
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Repositories
- ScopeMap Public
ScopeMap, an iterative, human-in-the-loop workflow designed to efficiently map functional limits rather than merely maximizing performance.
DeepSynthesis/ScopeMap’s past year of commit activity - Ullmann-Ma-Reaction-Prediction Public
A machine learning project for predicting reaction yields in Ullmann-Ma coupling reactions.
DeepSynthesis/Ullmann-Ma-Reaction-Prediction’s past year of commit activity - SynAD Public
Synthetic Applicability Domain (SynAD): Navigating Chemical Space for Reliable AI-Driven Reaction Prediction
DeepSynthesis/SynAD’s past year of commit activity - ReactionSeek Public
DeepSynthesis/ReactionSeek’s past year of commit activity - orgaicat Public
OrgAIcat: Leveraging Literature Data for Enantioselectivity Predic-tion and Optimization in Organocatalysis
DeepSynthesis/orgaicat’s past year of commit activity - etherReactionOptimization Public
AI guided new reaction discovery and optimization pipeline for synergistic cobalt enamine catalysis
DeepSynthesis/etherReactionOptimization’s past year of commit activity - HSPOC Public
Highly Precise Prediction of Micro- and Supra-pKa Based on 3D Descriptors Integrating Non-Covalent Interactions
DeepSynthesis/HSPOC’s past year of commit activity - PSPOC-version-1.0 Public
DeepSynthesis/PSPOC-version-1.0’s past year of commit activity - .github Public
Our goal is to integrate artificial intelligence technology into the science of chemistry, with a particualr focus on the investigation of chemical property, reactivity, and selectivity as well as the mechanism underlying them.
DeepSynthesis/.github’s past year of commit activity
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