Ray Zhu's Projects
Covalent x IBM iQuHACK 2023 In-Person Challenge
Graph neural network for OPLS force field parameterization
This repo contains code used to tackle Challenge I of AI Hackathon
This repo contains code that are commonly used in computational materials science
Potential energy map of crystals using MACE-MP-0
hunting flowers by answering quizzes
A library of scripts for geometry optimization and vibrational property calculation of molecular systems
An LLM bot that summarizes papers and transforms them into slides
Difflinker-based generative model for metal-organic frameworks (MOFs)
Cosine distance based similarity metric for evaluating site-specific chemical similarity