Pinned Repositories
azure-chatgpt-ui
A nice web UI for GPT-4 in Azure OpenAI Service
docker-alpine-miniconda3
The smallest Docker image with Miniconda3 (Python 3.7) (~143MB)
examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
hpc-examples
Examples of Triton usage
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
jhalfs
lammps
Public development project of the LAMMPS MD software package
lammps-container
Singularity and Docker containers for LAMMPS
torchdiffeq
Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.
apzc2529's Repositories
apzc2529/torchdiffeq
Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.
apzc2529/azure-chatgpt-ui
A nice web UI for GPT-4 in Azure OpenAI Service
apzc2529/docker-alpine-miniconda3
The smallest Docker image with Miniconda3 (Python 3.7) (~143MB)
apzc2529/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
apzc2529/hpc-examples
Examples of Triton usage
apzc2529/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
apzc2529/JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
apzc2529/jhalfs
apzc2529/lammps
Public development project of the LAMMPS MD software package
apzc2529/lammps-container
Singularity and Docker containers for LAMMPS
apzc2529/lammps-packages
Scripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages
apzc2529/lammps-tutorials
LAMMPS tutorials for Beginners
apzc2529/lammps_vscode
VSCODE extension for language support of LAMMPS scripts
apzc2529/lfs
apzc2529/mdgrad
Pytorch differentiable molecular dynamics
apzc2529/miniMD
MiniMD Molecular Dynamics Mini-App
apzc2529/modules
Environment Modules: provides dynamic modification of a user's environment
apzc2529/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
apzc2529/networkx
Official NetworkX source code repository.
apzc2529/OpenBLAS
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
apzc2529/rbtray
A fork of RBTray from http://sourceforge.net/p/rbtray/code/.
apzc2529/scipy-lecture-notes
Tutorial material on the scientific Python ecosystem
apzc2529/scipy-lecture-notes_cn
Pytho科学计算生态介绍的中文翻译，英文原文地址：
apzc2529/SOWFA-6
apzc2529/topotools
VMD plugin for manipulating topology information
apzc2529/vmd-python
Installable VMD as a python module
apzc2529/zotero
Zotero is a free, easy-to-use tool to help you collect, organize, cite, and share your research sources.