m0sey's repositories
Compu.Chem.scripts
useful scripts in VASP.
Toolkit4VASP-MS
a personal data processing toolkit for materials studio,dmol3.
ATST-Tools
Advanced ASE Transition State Tools for ABACUS
chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
FerroDispCalc
Python codes for calculation of polarization displacement vector in ferroelectric materials
generative-ai-for-beginners
12 Lessons, Get Started Building with Generative AI đź”— https://microsoft.github.io/generative-ai-for-beginners/
MathematicsModelingFinalEssay
The source code and raw data for this essay.
mctc-lib
Modular computation tool chain library
ML-For-Beginners
12 weeks, 26 lessons, 52 quizzes, classic Machine Learning for all
MoseyQAQ.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
MOF-LVGP-MOBBO
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.
MoseyQAQ
Config files for my GitHub profile.
software-development
A primer on software development best practices for computational chemistry