Hyunseung-Kim
Autonomous materials discovery system, AI/ML, Process system engineering, Modeling and Simulations
Seoul National University
Pinned Repositories
RL-CC
Implementation of Materials Discovery with Extreme properties via AI-Driven Combinatorial Chemistry
conformer-optimization
Code for finding the ground state conformer
GitHub-Templates
A collection of templates and documentation to help you manage your mod repos on GitHub.
Maximum-Common-Subgraph
A library for finding the maximum common induced subgraph between two graphs and compute their similarity (correlation).
molGCT
neuralsym
Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
rdkit-tutorials
Tutorials to learn how to work with the RDKit
Hyunseung-Kim's Repositories
Hyunseung-Kim/molGCT
Hyunseung-Kim/neuralsym
Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
Hyunseung-Kim/rdkit-tutorials
Tutorials to learn how to work with the RDKit
Hyunseung-Kim/conformer-optimization
Code for finding the ground state conformer
Hyunseung-Kim/GitHub-Templates
A collection of templates and documentation to help you manage your mod repos on GitHub.
Hyunseung-Kim/Maximum-Common-Subgraph
A library for finding the maximum common induced subgraph between two graphs and compute their similarity (correlation).