Pinned Repositories
20240522_GROMACS_introduction-fromepcced
Introductory GROMACS course on ARCHER2
DFT-VASP
This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCAR file.
gitverse
my git verse
Intro-to-Machine-Learning-in-Chemistry
MDanalysis_Workshop
Workshop - Analysis of Molecular Dynamics Simulation Using Python
ml_molsim
Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
p4vasp
p4vasp, the VASP Visualization Tool
py4chemoinformatics
Python for chemoinformatics
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
pyQRC
Quick Reaction Coordinate using Python
yt203y's Repositories
yt203y/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
yt203y/20240522_GROMACS_introduction-fromepcced
Introductory GROMACS course on ARCHER2
yt203y/DFT-VASP
This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCAR file.
yt203y/gitverse
my git verse
yt203y/Intro-to-Machine-Learning-in-Chemistry
yt203y/MDanalysis_Workshop
Workshop - Analysis of Molecular Dynamics Simulation Using Python
yt203y/ml_molsim
Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
yt203y/p4vasp
p4vasp, the VASP Visualization Tool
yt203y/py4chemoinformatics
Python for chemoinformatics
yt203y/pyQRC
Quick Reaction Coordinate using Python
yt203y/python-introduction
Introduction to Python 3
yt203y/RASPA2
Classical molecular simulation code
yt203y/turbomoleio
Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
yt203y/VASP-DFT-Tutorial
General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well
yt203y/yt203y.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes