Ray Zhu's repositories
ai-sci-hackathon-2024-molecular-nexus
Graph neural network for OPLS force field parameterization
ALCF_AI_Hackathon_Team_Borides
This repo contains code used to tackle Challenge I of AI Hackathon
LLM_My_way
An LLM bot that summarizes papers and transforms them into slides
MOF_workflow
Difflinker-based generative model for metal-organic frameworks (MOFs)
2023_CovalentxIBM
Covalent x IBM iQuHACK 2023 In-Person Challenge
Language:Jupyter Notebook000
Language:HTMLMIT000
MIT000
Language:Jupyter NotebookMIT000
site-specific-chemical-similarity
Cosine distance based similarity metric for evaluating site-specific chemical similarity
Comp_mat_suite
This repo contains code that are commonly used in computational materials science
Language:PythonMIT000
flower_hunt
hunting flowers by answering quizzes
Language:JavaScriptMIT000