Quantum Transport Simulations at the Exascale and Beyond 🚀

Lightning fast C++/CUDA neural network framework

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

An efficient C++17 GPU numerical computing library with Python-like syntax

A deep learning package for many-body potential energy representation and molecular dynamics

HIP: C++ Heterogeneous-Compute Interface for Portability

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

A simple, minimal, clean blog theme for hugo.

DeepPotential Model for tyk2

Distributed training framework for TensorFlow, Keras, PyTorch, and Apache MXNet.

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

a package for developing machine learning-based chemically accurate energy and density functional models

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

CUDA Templates for Linear Algebra Subroutines

CUB is a flexible library of cooperative threadblock primitives and other utilities for CUDA kernel programming.

Public development project of the LAMMPS MD software package

A LaTeX template framework for Chinese journals

Python bindings for NVTX

TensorFlow分布式MNIST手写字体识别实例

Implementation example of Distributed Tensorflow