m0sey's Projects
The code for AI for Science 101 project (Not officail!!)
Advanced ASE Transition State Tools for ABACUS
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
useful scripts in VASP.
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
Python codes for calculation of polarization displacement vector in ferroelectric materials
A flexible machine learning potential generator.
12 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/
The source code and raw data for this essay.
Modular computation tool chain library
12 weeks, 26 lessons, 52 quizzes, classic Machine Learning for all
This repository contains the LVGP-MOBBO code used in the Rapid Design of Top Performing Metal-Organic Frameworks with Qualitative Representations of Building Blocks paper.
Config files for my GitHub profile.
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
A portable Submit System
A primer on software development best practices for computational chemistry
a personal data processing toolkit for materials studio,dmol3.