ABACUS开源软件的中文用户文档

A fast reverse proxy to help you expose a local server behind a NAT or firewall to the internet.

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

Productive, portable, and performant GPU programming in Python.

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

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

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

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

CUDA Templates for Linear Algebra Subroutines

Fast, flexible and easy to use probabilistic modelling in Python.