I am a graduate student at East China Normal University (ECNU) and Shanghai Innovation Institute (SII), interested in the AI for Science (AI4S) field. SII is an institution dedicated to innovation in education and research in the field of AI
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Romarin87/FPS-SOAP
Romarin87/FPS-SOAP PublicFPS-SOAP is a set of scripts for efficient chemical dataset curation using Farthest Point Sampling (FPS) algorithm combined with Smooth Overlap of Atomic Positions (SOAP) descriptors.
Python 6
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Uni-Reaction-Release
Uni-Reaction-Release PublicForked from zengkaipeng/AlignReact-Release
Add multitask learning of Official Implementation of paper: A Unified Chemical Reaction Representation Learning Framework for Reaction Condition Recommendation and Performance Prediction
Python 2
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Elementary-Reaction-Validator
Elementary-Reaction-Validator PublicAutomated workflow for chemical elementary reaction validation using ASH.
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