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delta2ml

Delta^2 ML model that takes GFN2-xTB level geometries and energies to provide DFT and G4-level energy prediction.

generative-ai-for-beginners

18 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/

ord-schema

Schema for the Open Reaction Database

pygsm

Thermal and photochemical reaction path optimization and discovery

rgd1

A large reaction database obtained by comprehensive exploring graphically defined reaction spaces

tcit-hf

Taffi component increment theory used to predict enthalpy of formation

tcit_thermo

Taffi component increment theory used to predict enthalpy of formation, standard entropy and heat capacity.

webpage

A personal resume website template built with React.js, Typescript, Next.js, and styled with Tailwind css

yarp

zhaoqy1996.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes