Jerryluo2020

100-Days-Of-ML-Code

100 Days of ML Coding

ProgrammingProjects

C++ Programming Tutorial in Chemistry

OpenChem

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

Jerryluo2020.github.io

hello-world

just learn how to use

new-git-test

test

LVTHW

VASP_script

Useful scripts for VASP

VASP-script

color

计算色坐标，色温，显色指数的程序

VASP

Python program to evaluate off-resonance Raman activity using VASP code as the backend.

vasp2cif

A program that converts VASP POSCAR files to crystallographic information file format (CIF)