Pinned Repositories
AI4S101
The code for AI for Science 101 project (Not officail!!)
ATST-Tools
Advanced ASE Transition State Tools for ABACUS
chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
Compu.Chem.scripts
useful scripts in VASP.
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
flexgen
A flexible machine learning potential generator.
generative-ai-for-beginners
12 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/
Toolkit4VASP-MS
a personal data processing toolkit for materials studio,dmol3.
MoseyQAQ's Repositories
MoseyQAQ/Compu.Chem.scripts
useful scripts in VASP.
MoseyQAQ/Toolkit4VASP-MS
a personal data processing toolkit for materials studio,dmol3.
MoseyQAQ/FerroDispCalc
Python codes for calculation of polarization displacement vector in ferroelectric materials
MoseyQAQ/AI4S101
The code for AI for Science 101 project (Not officail!!)
MoseyQAQ/ATST-Tools
Advanced ASE Transition State Tools for ABACUS
MoseyQAQ/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
MoseyQAQ/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
MoseyQAQ/flexgen
A flexible machine learning potential generator.
MoseyQAQ/generative-ai-for-beginners
12 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/
MoseyQAQ/MathematicsModelingFinalEssay
The source code and raw data for this essay.
MoseyQAQ/mctc-lib
Modular computation tool chain library
MoseyQAQ/ML-For-Beginners
12 weeks, 26 lessons, 52 quizzes, classic Machine Learning for all
MoseyQAQ/MoseyQAQ.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
MoseyQAQ/psub
A portable Submit System
MoseyQAQ/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/MoseyQAQ
Config files for my GitHub profile.
MoseyQAQ/software-development
A primer on software development best practices for computational chemistry