Python Molecular-simulation Resources

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

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

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

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

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

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

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.

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