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Cleaner and Formatter for BibTeX files
A command line toolkit to simplify batch tasks generation and execution.
Github Pages template based upon HTML and Markdown for personal, portfolio-based websites.
DeePMD-kit plugin for various graph neural network models
Electronic transport properties from first-principles calculations
Quantum chemistry and solid state physics software package
A Python package for working with electrochemical impedance data
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.
程序员延寿指南 | A programmer's guide to live longer
NanoGenCat is a computational tool to obtain realistic models of nanoparticles from bulk systems of any type of material
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
A package to process electrochemical results from atomistic simulations.
A GROMACS implementation of the ClayFF force field
An open access book on scientific visualization using python and matplotlib
A deep learning package for many-body potential energy representation and molecular dynamics
Learning Vim and Vimscript doesn't have to be hard. This is the guide that you're looking for 📖
F90 to Python interface generator with derived type support
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
Slurm in Docker - Exploring Slurm using CentOS 7 based Docker images
This is a fortran ide for vim. It is intended to make the coding with fortran easier and faster in vim.