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simplecellzg's Projects

amk-gau_xtb icon amk-gau_xtb

Automated Reaction Mechanisms and Kinetics based transition state search process AMK-gau_xtb

autogpt icon autogpt

An experimental open-source attempt to make GPT-4 fully autonomous.

badcpu icon badcpu

play BadApple in Windows Task Manager

getmap icon getmap

自动从谷歌或高德下载卫星或街道地图

jax-md icon jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

jax-reaxff icon jax-reaxff

JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

kliff icon kliff

KIM-based Learning-Integrated Fitting Framework (KLIFF).

lammps icon lammps

Public development project of the LAMMPS MD software package

monop icon monop

Multiple Objective NSGA-II-Based Optimization Program (MONOP)

oareactdiff icon oareactdiff

An object-aware diffusion model for generating chemical reactions

platemo icon platemo

Evolutionary multi-objective optimization platform

projectq icon projectq

ProjectQ: An open source software framework for quantum computing

pymoo icon pymoo

NSGA2, NSGA3, R-NSGA3, MOEAD, Genetic Algorithms (GA), Differential Evolution (DE), CMAES, PSO

qiskit-textbook icon qiskit-textbook

A university quantum algorithms/computation course supplement based on Qiskit

reaction-network icon reaction-network

Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (Lawrence Berkeley National Lab).

scikit-opt icon scikit-opt

Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)

searxng-docker icon searxng-docker

The docker-compose files for setting up a SearXNG instance with docker.

shell icon shell

Linux命令行与shell脚本编程大全案例

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