fujiepku Goto Github PK

berkeleygw-examples

BerkeleyGW examples

covid-19

Novel Coronavirus (COVID-19) Cases, provided by JHU CSSE

dielectrickit

High-performance Fortran program to calculate polarizability and inverse dielectric response function.

dscribe

DScribe is a python package for creating machine learning descriptors for atomistic systems.

ebook

classic books of computer science!

feff10

friendshao.github.io

Homepage & Blog

fujiepku.github.io

genice

A swiss army knife to generate proton-disordered ice structures.

graphite

A repository for implementing graph network models based on atomic structures.

greenpepper

iptv

lammps

Public development project of the LAMMPS MD software package

libpku

贵校课程资料民间整理

ml-csc-tutorial

ocean

BSE code for core spectroscopy

oncvpseudopack

Collection of ONCVPSP pseudopotentials for density-functional theory calculations

one_click_meteor_shower

Initial version

primme

PReconditioned Iterative MultiMethod Eigensolver for solving symmetric/Hermitian eigenvalue problems and singular value problems

q-e

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

read

Collection book which i need to read more and more times;

sfg-spectra-tool

This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program can applied to planar, cylindrical and spherical interfaces

spectrai

spectrai: a deep learning framework for spectral data

ters_tutorial

Small Tutorial to find TERS image of C6H6

time_for_us_people

model for covid-19 US

tvlist-awesome-m3u-m3u8

直播源相关资源汇总 📺 💯 IPTV、M3U —— 勤洗手、戴口罩，祝愿所有人百毒不侵

workshop-july-2020

Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020

xas-nne

Neural network ensembles for X-ray absorption spectroscopy of molecules and materials.

yambo

This is the official GPL repository of the yambo code