Python Molecular-dynamics-simulation Resources

MuJoCo Physics MuJoCo stands for Multi-Joint dynamics with Contact. It is a general purpose physics engine that aims to facilitate research and develo

About The Project This is a simple DHCP server and client simulation. I implemented it for computer network course spring 2021 The client can request

Anomaly Detection in Multi-Agent Trajectories for Automated Driving This is the official project page including the paper, code, simulation, baseline

Pendulum project, built using pygame and math modules.

Helpdesk Application The project is a Helpdesk application (Helpdesk dynamics) where staff of an organization can raise and assign job/trouble tickets

Mathematical modeling is a powerful method for the analysis of complex biological systems. Although there are many researches devoted on produ

pulse2percept: A Python-based simulation framework for bionic vision Retinal degenerative diseases such as retinitis pigmentosa and macular degenerati

pyHype: Computational Fluid Dynamics in Python pyHype is a Python framework for developing parallelized Computational Fluid Dynamics software to solve

SmartSim Example Zoo This repository contains CrayLabs and user contibuted examples of using SmartSim for various simulation and machine learning appl

Simulation-based inference for the Galactic Center Excess Siddharth Mishra-Sharma and Kyle Cranmer Abstract The nature of the Fermi gamma-ray Galactic

IsoGCN The official implementation of IsoGCN, presented in the ICLR2021 paper Isometric Transformation Invariant and Equivariant Graph Convolutional N

一款基于Qt与OpenCV的仿真数字示波器

Abstract We present extensive empirical evidence showing that current Bayesian simulation-based inference algorithms are inadequate for the falsificat

A Final Year Project in CUHK, Autumn 2021 Network Dynaimcs Simulation Files param.h edit all the variables & settings here simulate.c the main program

Imitating Deep Learning Dynamics via Locally Elastic Stochastic Differential Equations This repo contains official code for the NeurIPS 2021 paper Imi

AWS DeepRacer Overview The AWS DeepRacer Evo vehicle is a 1/18th scale Wi-Fi enabled 4-wheel ackermann steering platform that features two RGB cameras

Python-Orbit-Sim A 2D physics sim for orbits. Made using pygame and tkinter. High degree of intractability, allowing you to create celestial bodies of

3D-Transformer: Molecular Representation with Transformer in 3D Space

Overview of liionpack liionpack takes a 1D PyBaMM model and makes it into a pack. You can either specify the configuration e.g. 16 cells in parallel a

PhyCRNet Physics-informed convolutional-recurrent neural networks for solving spatiotemporal PDEs Paper link: [ArXiv] By: Pu Ren, Chengping Rao, Yang

PiSL A python implementation of Physics-informed Spline Learning for nonlinear dynamics discovery. Sun, F., Liu, Y. and Sun, H., 2021. Physics-informe

SurRoL IROS 2021 SurRoL: An Open-source Reinforcement Learning Centered and dVRK Compatible Platform for Surgical Robot Learning Features dVRK compati

VectorNet Re-implementation This is the unofficial pytorch implementation of CVPR2020 paper "VectorNet: Encoding HD Maps and Agent Dynamics from Vecto

An event-based multi-device simulation framework providing configuration and orchestration of complex multi-device simulations.

Robust, intersection-free, simulations of rigid bodies.

mc3g Monte Carlo simulation of 3G rules This project contains the Python code to do simulations of events according to the 3G rule (in German: "Geimpf

solar-system Simulation of the solar system using various nummerical methods Download the repo Make shure matplotlib, scipy etc. are installed execute

Automatic Differentiation Multipole Moment Molecular Forcefield Performance notes On a single gpu, using waterbox_31ang.pdb example from MPIDplugin wh

BEM(building energy model)-SIM-APP The is a web app presenting my research in BEM(building energy model) calibration. You can play around with some pa

safe-control-gym Physics-based CartPole and Quadrotor Gym environments (using PyBullet) with symbolic a priori dynamics (using CasADi) for learning-ba

MolEncoder Molecular AutoEncoder in PyTorch Install $ git clone https://github.com/cxhernandez/molencoder.git && cd molencoder $ python setup.py insta

LiDAR fog simulation Created by Martin Hahner at the Computer Vision Lab of ETH Zurich. This is the official code release of the paper Fog Simulation

DockStream Description DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution an

JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design This repository contains code for the paper: JA

OpenCDA OpenCDA is a SIMULATION tool integrated with a prototype cooperative driving automation (CDA; see SAE J3216) pipeline as well as regular autom

Evidential Deep Learning for Guided Molecular Property Prediction and Discovery Ava Soleimany*, Alexander Amini*, Samuel Goldman*, Daniela Rus, Sangee

attractors Attractors is a package for simulation and visualization of strange attractors. Installation The simplest way to install the module is via

NeuralWOZ This code is official implementation of "NeuralWOZ: Learning to Collect Task-Oriented Dialogue via Model-based Simulation". Sungdong Kim, Mi

fluidnet_cxx: Accelerating Fluid Simulation with Convolutional Neural Networks. A PyTorch/ATen Implementation. This repository is based on the paper,

Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics This work will be published in Nature Biomedical

Brax is a differentiable physics engine that simulates environments made up of rigid bodies, joints, and actuators. It's also a suite of learning algorithms to train agents to operate in these environments (PPO, SAC, evolutionary strategy, and direct trajectory optimization are implemented).

Squidpy is a tool for the analysis and visualization of spatial molecular data. It builds on top of scanpy and anndata, from which it inherits modularity and scalability. It provides analysis tools that leverages the spatial coordinates of the data, as well as tissue images if available.

Physics-aware Difference Graph Networks for Sparsely-Observed Dynamics This repository is the official PyTorch implementation of "Physics-aware Differ

Part of the 9th place solution for the Bristol-Myers Squibb – Molecular Translation challenge translating images containing chemical structures into I

VID-Fusion VID-Fusion: Robust Visual-Inertial-Dynamics Odometry for Accurate External Force Estimation Authors: Ziming Ding , Tiankai Yang, Kunyi Zhan

Brax is a differentiable physics engine that simulates environments made up of rigid bodies, joints, and actuators. It's also a suite of learning algorithms to train agents to operate in these environments (PPO, SAC, evolutionary strategy, and direct trajectory optimization are implemented).

[PDF] | [Slides] The official implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021 Long talk) Installation Inst

BridgeWalk is a partially-observed reinforcement learning environment with dynamics of varying stochasticity. The player needs to walk along a bridge to reach a goal location. When the player walks off the bridge into the water, the current will move it randomly until it gets washed back on the shore. A good agent in this environment avoids this stochastic trap

MolRep: A Deep Representation Learning Library for Molecular Property Prediction Summary MolRep is a Python package for fairly measuring algorithmic p

Home Install Documentation Slack Invite Cray Labs SmartSim SmartSim makes it easier to use common Machine Learning (ML) libraries like PyTorch and Ten

Megaverse Megaverse is a new 3D simulation platform for reinforcement learning and embodied AI research. The efficient design of the engine enables ph

SmartSim makes it easier to use common Machine Learning (ML) libraries like PyTorch and TensorFlow, in High Performance Computing (HPC) simulations and workloads.

Smoking Simulation is an app to simulate the spreading of smokers and non-smokers, their interactions and population during certain

The MDAkit for membrane curvature analysis is part of the Google Summer of Code program and it is linked to a Code of Conduct.

BMS-Molecular-Translation Introduction This is a pipeline for Bristol-Myers Squibb – Molecular Translation by Vadim Timakin and Maksim Zhdanov. We got

Memory In Memory Networks It is based on the paper Memory In Memory: A Predictive Neural Network for Learning Higher-Order Non-Stationarity from Spati

This repo contains code for our paper State-only Imitation with Transition Dynamics Mismatch published at ICLR 2020. The code heavily uses the RL mach

Notspot robot simulation - Python version This repository contains all the files and code needed to simulate the notspot quadrupedal robot using Gazeb

pyRigidBody3d A simple 3D rigid body simulation written in python

Contact and Human Dynamics from Monocular Video This is the official implementation for the ECCV 2020 spotlight paper by Davis Rempe, Leonidas J. Guib

SpiderBot_DeepRL Title: Implementation of Single and Multi-Agent Deep Reinforcement Learning Algorithms for a Walking Spider Robot Authors(s): Arijit

Civsim Introduction Civsim is a basic civilisation simulation and modelling system built in Python 3.8. It requires the following packages: perlin_noi

SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks Molecular interaction networks are powerful resources for the discovery. While dee

This is a python implementation of the ASFLIP advection method . We would like to hear from you if you appreciate this work.

RecSim NG, a probabilistic platform for multi-agent recommender systems simulation. RecSimNG is a scalable, modular, differentiable simulator implemented in Edward2 and TensorFlow. It offers: a powerful, general probabilistic programming language for agent-behavior specification;

PyDy, short for Python Dynamics, is a tool kit written in the Python programming language that utilizes an array of scientific programs to enable the study of multibody dynamics. The goal is to have a modular framework and eventually a physics abstraction layer which utilizes a variety of backends that can provide the user with their desired workflow

Few-shot Graph Learning for Molecular Property Prediction Introduction This is the source code and dataset for the following paper: Few-shot Graph Lea

gradsim gradSim: Differentiable simulation for system identification and visuomotor control gradSim is a unified differentiable rendering and multiphy

NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks.

Backtesting.py Backtest trading strategies with Python. Project website Documentation the project if you use it. Installation $ pip install backtestin

Dataset Cartography Code for the paper Dataset Cartography: Mapping and Diagnosing Datasets with Training Dynamics at EMNLP 2020. This repository cont

TrajNet++ : The Trajectory Forecasting Framework PyTorch implementation of Human Trajectory Forecasting in Crowds: A Deep Learning Perspective TrajNet

Crafter Open world survival environment for reinforcement learning. Highlights Crafter is a procedurally generated 2D world, where the agent finds foo

c is for Camera A 35mm camera, based on the Canonet G-III QL17 rangefinder, simulated in Python. The purpose of this project is to explore and underst

Navier-Stokes-numerical-solution-using-Python- Python script for Linear, Non-Linear Convection, Burger’s & Poisson Equation in 1D & 2D, 1D D

Table of contents What is PEM? Overview Installation Usage Executable Library Telegram Bot Try OPEM in Your Browser! MATLAB Issues & Bug Reports Contr

ANUGA Contents ANUGA What is ANUGA? Installation Documentation and Help Mailing Lists Web sites Latest source code Bug reports Developer information L

Unknown-Horizons based on Fifengine is no longer in development. We are porting it to Godot Engine. Please dont report any new bugs. Only bugfixes wil

MazeRL is an application oriented Deep Reinforcement Learning (RL) framework, addressing real-world decision problems. Our vision is to cover the complete development life cycle of RL applications ranging from simulation engineering up to agent development, training and deployment.

Differentiable molecular simulation of proteins with a coarse-grained potential This repository contains the learned potential, simulation scripts and

qecsim qecsim is a Python 3 package for simulating quantum error correction using stabilizer codes.

This repository contains a simulation-based inference benchmark framework, sbibm, which we describe in the associated manuscript "Benchmarking Simulation-based Inference".

CSE-Autoloss Designing proper loss functions for vision tasks has been a long-standing research direction to advance the capability of existing models

This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data.

Neural Tangents ICLR 2020 Video | Paper | Quickstart | Install guide | Reference docs | Release notes Overview Neural Tangents is a high-level neural

Overview I'm building my network simulation environments with Vagrant using libvirt plugin on a Ubuntu 20.04 system... and I always hated how boring i