wwjcmp Goto Github PK

molgw

Accurate many-body perturbation theory calculations of the electronic structure of molecules

mr.-ranedeer-ai-tutor

A GPT-4 AI Tutor Prompt for customizable personalized learning experiences.

netket

Machine learning algorithms for many-body quantum systems

new-comer-tutorial

新生入学培训资料

nnfs-book-with-implementation

Book and code where describe each and every topic of neural network from scratch.

notes-python

中文 Python 笔记

numerical-mooc

A collaborative educational initiative in computational science and engineering.

numerical-optimization

This is a course material for numerical optimization to be taught in summer 2020

numpy

Numpy main repository

obsidian-map-of-content

Generate a Map of Content for your Obsidian vault

occupation-matrix-control-in-vasp

Occupation matrix control modification VASP

pc_co2rr_ml

pdfminer

Python PDF Parser

physical_chemistry

Files used in TMP Chem videos on physical chemistry

physo

Physical Symbolic Optimization

practicalai

A practical approach to learning machine learning.

prml

PRML algorithms implemented in Python

programmingprojects

C++ Programming Tutorial in Chemistry

psi4numpy

Combining Psi4 and Numpy for education and development.

pslibrary

A library of ultrasoft and PAW pseudopotentials

pwdft.jl

Plane wave density functional theory using Julia programming language

pycse

Python computations in science and engineering

pydict

pyrai2md-hiam

Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics

pyscf

Python module for quantum chemistry

python_1d_dft

1D density functional theory code in Python

pythoncompphys

Some python workbooks with various topics from Computational Physics

pytorch-book

PyTorch tutorials and fun projects including neural talk, neural style, poem writing, anime generation

pytorch-examples

Simple examples to introduce PyTorch

pytorch-made

MADE (Masked Autoencoder Density Estimation) implementation in PyTorch