Python Molecular-dynamics-simulation Resources

Occupancy Flow This repository contains the code for the project Occupancy Flow - 4D Reconstruction by Learning Particle Dynamics. You can find detail

PyNBoids A Python Boids Simulation This is a Boids simulation, written in Python3, with Pygame2 and NumPy. To use: Save the pynboids_sp.py file (and n

NeuralPDE NeuralPDE.jl is a solver package which consists of neural network solvers for partial differential equations using scientific machine learni

COSCO Framework COSCO is an AI based coupled-simulation and container orchestration framework for integrated Edge, Fog and Cloud Computing Environment

Gala is a Python package for Galactic and gravitational dynamics. Documentation The documentation for Gala is hosted on Read the docs. Installation an

Simulation and Parameter Estimation in Geophysics - A python package for simulation and gradient based parameter estimation in the context of geophysical applications.

CONCEPT (COsmological N-body CodE in PyThon) is a free and open-source simulation code for cosmological structure formation. The code should run on any Linux system, from massively parallel computer clusters to laptops.

PythonPercolation Percolation simulation using python Exemple de percolation : Etude statistique sur le pourcentage de remplissage jusqu'à percolation

AERO - 421 Final Project Redevelopment Spacecraft Attitude, Dynamics, and Control: Simulation to determine and control a satellite's attitude in LEO.

Daphny_counter run command must be like this: /usr/bin/python3 /home/nmakagonov/Daphny/daphny_counter/Daphny_counter.py -o /home/nmakagonov/Daphny/out

PyPowSyBl The PyPowSyBl project gives access PowSyBl Java framework to Python developers. This Python integration relies on GraalVM to compile Java co

Monte Carlo python simulation Install linux dependencies sudo apt update sudo apt install build-essential \ software-properties-commo

hooman ~ pygame for humans pip install hooman join discord: https://discord.gg/Q23ATve The package for clearer, shorter and cleaner PyGame codebases!

finitevolume2-python Finite Volume simulation of the Raleigh-Taylor Instability Create Your Own Finite Volume Fluid Simulation (With Python): Part 2 B

Neural Fluid Fields This is a small library for doing fluid simulation with neural fields. Check out our review paper, Neural Fields in Visual Computi

MDAnalysis Repository README [*] MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale,

The devkit of the nuPlan dataset.

BIGDATA SIMULATION LIBRARY OF DREAM BY SANDMAN BOOKS ================= Solution Architecture Description In the realm of Dreaming, its ruler SANDMAN,

GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles This repository contains a method to generate 3D conformer ensembles direct

Simulation of moving particles under microscopic imaging Install scipy numpy scikit-image tiffile Run python simulation.py Read result https://imagej

SEE Injection Framework 2021 This repository contains two Single Event Effect (SEE) injection platforms. The first one is called BFSP - "Bitflip Fault

LitMatter A template for rapid experimentation and scaling deep learning models on molecular and crystal graphs. How to use Clone this repository and

ED2 Code for Environment Dynamics Decomposition (ED2). Installation Follow the installation in MBPO and Dreamer. Usage First follow the SD2 method for

Junction Tree Variational Autoencoder for Molecular Graph Generation Official implementation of our Junction Tree Variational Autoencoder https://arxi

Flexible Networks for Learning Physical Dynamics of Deformable Objects (2021) By Jinhyung Park, Dohae Lee, In-Kwon Lee from Yonsei University (Seoul,

Disimpy Disimpy is a Python package for generating simulated diffusion-weighted MR signals that can be useful in the development and validation of dat

BFSP [v1.05] Bitflip Fault Simulation Platform by Daniele Rizzieri (2021) The platform injects a random bitflip in each of N copies of a binary file.

Monitoring of lake dynamics This is a program that uses multi-source remote sensing data to monitor the dynamic changes of lakes. The detailed introdu

Cloth Simulation via Taichi

Ultra-Fast Force Fields (UF3) S. R. Xie, M. Rupp, and R. G. Hennig, "Ultra-fast interpretable machine-learning potentials", preprint arXiv:2110.00624

SelfDrive_AI Reinforcement learning for self-driving in a 3D simulation (Created using UNITY-3D) 1. Requirements for the SelfDrive_AI Gym You need Pyt

Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures Code for the Multiplex Molecular Graph Neural Network (M

Knowledge-enhanced Contrastive Learning (KCL) Molecular Contrastive Learning with Chemical Element Knowledge Graph [ AAAI 2022 ]. We construct a Chemi

Attractors A small module that provides functions and classes for very efficient simulation and rendering of iterated function systems; dynamical syst

ONE PIECE is a Japanese manga of great international success. The story turns inhabited in a fictional world, tells the adventures of a young man whose body gained rubber properties after accidentally eating a devil fruit (AKUMA NO MI).

JAX Gravity This repo contains a demo of how to use JAX to create a simple gravity simulation. It uses JAX's experimental ode package to solve the dif

Miniattack Simulate Attacks With Mininet And Hping3 It measures network load with bwm-ng when the net is under attack and plots the result. This demo

ReacNetGenerator An automatic reaction network generator for reactive molecular dynamics simulation. ReacNetGenerator: an automatic reaction network g

MoT - Molecular Transformer Large-scale Pretraining for Molecular Property Prediction Samsung AI Challenge for Scientific Discovery This repository is

Cooperative Driving Dataset (CODD) The Cooperative Driving dataset is a synthetic dataset generated using CARLA that contains lidar data from multiple

Step by step development of a vending coffee machine project, including tkinter, sqlite3, simulation, etc.

Verification of Monty Hall problem by experimental simulation. |中文|English| In the process of learning causal inference, I learned about the Monty Hal

PyMPDATA PyMPDATA is a high-performance Numba-accelerated Pythonic implementation of the MPDATA algorithm of Smolarkiewicz et al. used in geophysical

Description Small wrapper around 3dmol.js and html2canvas for creating self-contained HTML files that display a 3D molecular representation. Double cl

Factorized Fourier Neural Operators This repository contains the code to reproduce the results in our NeurIPS 2021 ML4PS workshop paper, Factorized Fo

Molecular Sets (MOSES): A benchmarking platform for molecular generation models Deep generative models are rapidly becoming popular for the discovery

tmm_fast tmm_fast or transfer-matrix-method_fast is a lightweight package to speed up optical planar multilayer thin-film device computation. It is es

Online Pseudo Label Generation by Hierarchical Cluster Dynamics for Adaptive Person Re-identification

ltempy ltempy is a set of tools for Lorentz TEM data analysis, simulation, and presentation. Features Single Image Transport of Intensity Equation (SI

Code of the paper "Deep Human Dynamics Prior" in ACM MM 2021. Figure 1: In the process of motion capture (mocap), some joints or even the whole human

IROS21 information To test the code and reproduce the experiments, follow the installation steps in Installation.md. Afterwards, follow the steps in E

Official code of APHYNITY Augmenting Physical Models with Deep Networks for Complex Dynamics Forecasting (ICLR 2021, Oral) Yuan Yin*, Vincent Le Guen*

Delve is a Python package for analyzing the inference dynamics of your PyTorch model.

Robotics Toolbox for Python A Python implementation of the Robotics Toolbox for MATLAB® GitHub repository Documentation Wiki (examples and details) Sy

Fluid Simulation Usage Download this repo and store it in your computer. Open a terminal and go to the root directory of this folder. Make sure you ha

HSPICE can not perform Monte Carlo (MC) simulations while considering aging effects. I developed a python wrapper that automatically performs MC and aging simulations using HPSICE to save engineering hours.

tcaledger PVE with tcaledger app for payments and simulation of payment requests. The purpose of this API is to empower users to accept cryptocurrenci

This is a a CSMA/CA simulator written in Python based on simulator of the same type found the link https://github.com/StevenSLXie/CSMA-Simulator with

In this repository, the code to use Udacity's self driving car simulator as a testbed for training an autonomous car are provided.

Ohm-s-Law-Visualizer It's an application to calculate I from v and r using Ohm's Law. It can also plot a graph between V vs I. Story I'm doing my Unde

Simulation Dataset for BBHnet NOTE: OLD README, UPDATE IN PROGRESS We generate simulation dataset to train BBHnet, our deep learning framework for det

Generating Videos with Scene Dynamics This repository contains an implementation of Generating Videos with Scene Dynamics by Carl Vondrick, Hamed Pirs

CaloGAN Simulating 3D High Energy Particle Showers in Multi-Layer Electromagnetic Calorimeters with Generative Adversarial Networks. This repository c

Location-Aware Generative Adversarial Networks (LAGAN) for Physics Synthesis This repository contains all the code used in L. de Oliveira (@lukedeo),

COVID-19-simulation Simulation of early COVID-19 using SIR model and variants (SEIR ...). Made by the Laboratory of Sustainable Life Assessment (GYRO)

Scalable Intervention Target Estimation in Linear Models Implementation of the paper Scalable Intervention Target Estimation in Linear Models (NeurIPS

MuMMI RAS v0.1 Released: Nov 16, 2021 MuMMI RAS is the application component of the MuMMI framework developed to create large-scale ML-driven multisca

Web service load balancing simulation experiment.

High Performance Molecular Dynamics Logging into CINECA's computer systems To logon to the M100 system use the following command from an SSH client ss

scheil A Scheil-Gulliver simulation tool using pycalphad. import matplotlib.pyplot as plt from pycalphad import Database, variables as v from scheil i

freud Overview The freud Python library provides a simple, flexible, powerful set of tools for analyzing trajectories obtained from molecular dynamics

pytools is an open source library containing general machine learning and visualisation utilities for reuse, including: Basic tools for API developmen

AutomaticUSnavigation Investigating automatic navigation towards standard US views integrating MARL with the virtual US environment developed in CT2US

A small fun project to simulate Conway's Game of Life, created in Python. Conway's Game of Life simulates a grid of cells, where the state of each cell consists of whether the cell is alive or dead.

This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.

Autonomous Ground Vehicle Navigation and Control Simulation Examples in Python THIS PROJECT IS CURRENTLY A WORK IN PROGRESS AND THUS THIS REPOSITORY I

Almacenes Para clonar el Repositorio: Vaya a la terminal de Linux o Mac, o a la cmd en Windows y ejecute:

A Example for Calculating Robot Dynamics Using Pinocchio Library Developed by: Xinyang Tian. Platform: Linux + Pinocchio. In this work, i use Pinocchi

Hamiltonian Dynamics with Non-Newtonian Momentum for Rapid Sampling Code for the paper: Greg Ver Steeg and Aram Galstyan. "Hamiltonian Dynamics with N

README: GromacsWrapper A primitive Python wrapper around the Gromacs tools. The library is tested with GROMACS 4.6.5, 2018.x, 2019.x, 2020.x, and 2021

Documentation OWPHydroTools GitHub pages documentation Motivation We developed OWPHydroTools with data scientists in mind. We attempted to ensure the

Likelihood-Free Inference in State-Space Models with Unknown Dynamics This package contains the codes required to run the experiments in the paper. Th

Agent-based model simulation for air quality and pandemic risk assessment in architectural spaces. User Guide archABM is a fast and open source agent-

Official repository of the paper (UAI 2021) "A Variational Approximation for Analyzing the Dynamics of Panel Data", Mixed Effect Neural ODE. Panel dat

Molecular Orbital Transitions (MOT) Animate molecular orbital transitions using Psi4 and Blender Author: Maximilian Paradiz Dominguez, University of A

Molecular Sets (MOSES): A benchmarking platform for molecular generation models Deep generative models are rapidly becoming popular for the discovery

elmer_circuitbuilder Python module for creating the circuit simulation definitions for Elmer FEM. The circuit definitions enable easy setup of coils (

A totally unrealistic cell growth/reproduction simulation.

This repository contains code for training and evaluating FlingBot in both simulation and real-world settings on a dual-UR5 robot arm setup for Ubuntu 18.04

Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations This directory contains the model architectures and experimental

AMAZ3DSim AMAZ3DSim is a lightweight python-based 3D network multi-agent simulator. It uses a cell-based congestion model. It calculates risk, battery

solar-system-pygame Controls UP/DOWN for Emulation Speed Control ESC for Pause/Unpause q to Quit c or ESC again to Continue LEFT CLICK to Add an orbit

Ackermann Line Follower Robot This is a simulation of a line follower robot that works with steering control based on Stanley: The Robot That Won the

FaPro Free,Cross-platform,Single-file mass network protocol server simulator 中文Readme Description FaPro is a Fake Protocol Server tool, Can easily sta

Welcome to arknights-gacha repository This is my shameless attempt of simulating Arknights gacha. Current supported banner types (with potential bugs)

Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics

dm_control: DeepMind Infrastructure for Physics-Based Simulation. DeepMind's software stack for physics-based simulation and Reinforcement Learning en

PyTorch code for DriveGAN: Towards a Controllable High-Quality Neural Simulation

Robotic Arm Simulation in ROS2 and Gazebo General Overview This repository includes: First, how to simulate a 6DoF Robotic Arm from scratch using GAZE

No RL No Simulation (NRNS) Official implementation of the NRNS paper: No RL, No Simulation: Learning to Navigate without Navigating NRNS is a heriarch