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西安交通大学学位论文模板(LaTeX)(适用硕士、博士学位)An official LaTeX template for Xi'an Jiaotong University degree thesis (Chinese and English)

TeX 279 60 Updated Mar 5, 2025

Quantum Thermochemistry Calculator

Python 6 5 Updated Sep 30, 2020

MDAnalysis is a Python library to analyze molecular dynamics simulations.

Python 1,385 685 Updated Mar 4, 2025

A simple and fast python library to handle the data generated from molecular dynamics simulations

Python 71 10 Updated Jan 13, 2025

Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics

Python 22 6 Updated Aug 26, 2022

A library for analysing LAMMPS Simulation output

Python 2 Updated Feb 24, 2025

Quick Look extension for highlight source code files on macOS 10.15 and later.

C++ 3,177 76 Updated Jan 30, 2025

Training reactive potentials with on the fly regularization and uncertainty quantification

Fortran 8 2 Updated Feb 9, 2021

RDPWrap.ini for RDP Wrapper Library by Stas'M

2,858 780 Updated Mar 2, 2025

Installable VMD as a python module

C 135 26 Updated Jan 28, 2025

A python API to the Xiaomi Mi WiFi Router web interface

Python 15 11 Updated Jan 16, 2023

📻Terminal/ssh/telnet/serialport/RDP/VNC/sftp client(linux, mac, win)

JavaScript 11,926 981 Updated Mar 6, 2025

A small Python script to allow the sending of a WOL Magic packet

Python 188 48 Updated Sep 5, 2023

3D Software Renderer in 700 Lines !!

C 2,252 504 Updated Sep 23, 2024

Mac-style shortcut keys for Linux & Windows.

Python 4,721 218 Updated Jun 11, 2024

Steps to create a small slurm cluster with GPU enabled nodes

Shell 268 79 Updated Feb 2, 2023

python libray for IAPWS standard calculation of water and steam properties

Python 175 64 Updated Dec 9, 2024

I-ReaxFF: stand for Intelligent-Reactive Force Field

Python 31 10 Updated Mar 7, 2025

HyNote 个人笔记

TeX 8 4 Updated Nov 5, 2021

library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization

C 1,978 614 Updated Mar 3, 2025

This is the open-source ogolem framework for GA-based global optimization.

Java 7 5 Updated Jun 10, 2024

Train Your Data Processor: Distribution-Aware and Error-Compensation Coordinate Decoding for Human Pose Estimation.

Cuda 15 2 Updated Oct 12, 2021

An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.

Python 27 10 Updated Oct 18, 2023

Python in High Performance Computing

Python 345 809 Updated Feb 25, 2025

Minesweeper game written in Python using Tkinter GUI library.

Python 142 98 Updated Jul 5, 2022

📖 A collection of pure bash alternatives to external processes.

Shell 36,825 3,308 Updated Nov 28, 2023

RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine

Fortran 25 14 Updated Mar 2, 2025

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

Python 326 176 Updated Mar 5, 2025
Fortran 4 6 Updated Mar 22, 2019

Raspberry Pi 4 NAS Server with OpenMediaVault 5 and NextCloud

21 Updated Mar 1, 2020
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