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Chun Cai's Projects

abacus-develop icon abacus-develop

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

ais-bench icon ais-bench

The benchmark suite of AI for Science applications

deepflame-dev icon deepflame-dev

A machine learning-empowered computational fluid dynamics package for reacting flow at all speeds.

deepmd-kit icon deepmd-kit

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

dmff icon dmff

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.

hosts icon hosts

GitHub最新hosts。解决GitHub图片无法显示,加速GitHub网页浏览。

libnpy icon libnpy

C++ library for reading and writing of numpy's .npy files

megadock icon megadock

An ultra-high-performance protein-protein docking for heterogeneous supercomputers

mirror-web icon mirror-web

Source code of the web interface of https://mirrors.tuna.tsinghua.edu.cn/

mpi4jax icon mpi4jax

Zero-copy MPI communication of JAX arrays, for turbo-charged HPC applications in Python :zap:

pytorch icon pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

staged-recipes icon staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

taichi icon taichi

Productive & portable high-performance programming in Python.

tbplas icon tbplas

Repository of TBPLaS (tight-binding package for large-scale simulation)

uni-dock icon uni-dock

Uni-Dock: a GPU-accelerated molecular docking program

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