Search Results for "molecular dynamics simulation"
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Showing 18 open source projects for "molecular dynamics simulation"
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BioNeMo
BioNeMo Framework: For building and adapting AI models
BioNeMo is an AI-powered framework developed by NVIDIA for protein and molecular generation using deep learning models. It provides researchers and developers with tools to design, analyze, and optimize biological molecules, aiding in drug discovery and synthetic biology applications. -
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BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
...To reconstruct the side-chains, several tools are available. As an example, we interface with HPacker to conduct side-chain reconstruction and also provide basic tooling for running a short molecular dynamics (MD) equilibration. -
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Diffusion for World Modeling
Learning agent trained in a diffusion world model
Diffusion for World Modeling is an experimental reinforcement learning system that trains intelligent agents inside a simulated environment generated by a diffusion-based world model. The project introduces the idea of using diffusion models, commonly used for image generation, to simulate the dynamics of an environment and predict future states based on previous observations and actions. Instead of interacting directly with a real environment, the reinforcement learning agent learns within... -
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Gradient Bang
Gradient Bang is an online multiplayer universe
Gradient Bang is an experimental open-source project developed within the Pipecat ecosystem that reimagines AI interaction as a persistent, multiplayer simulation where users and large language models coexist inside a shared virtual environment. Rather than functioning as a traditional application or API, it is conceptualized as an “online multiplayer universe” in which participants can explore, trade, battle, and collaborate while interacting with AI agents as active entities within the... -
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VectorizedMultiAgentSimulator (VMAS)
VMAS is a vectorized differentiable simulator
VectorizedMultiAgentSimulator is a high-performance, vectorized simulator for multi-agent systems, focusing on large-scale agent interactions in shared environments. It is designed for research in multi-agent reinforcement learning, robotics, and autonomous systems where thousands of agents need to be simulated efficiently. -
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Flexe
The open source federated learning for vehicular network simulation
Flexe is a FL simulator designed for connected and autonomous vehicles (CAVs). It enables horizontal/vertical/transfer FL schemes and simulates realistic wireless and vehicular dynamics. Separate Python client (PyFlexe) available. -
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SpikingJelly
SpikingJelly is an open-source deep learning framework
SpikingJelly is an open-source deep learning framework for spiking neural networks that is primarily built on top of PyTorch and aimed at neuromorphic computing research. The project provides the components needed to build, train, and evaluate neural models that communicate through discrete spikes rather than the continuous activations used in conventional artificial neural networks. This makes it especially relevant for researchers interested in biologically inspired computing, event-driven... -
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Bullet Physics SDK
Real-time collision detection and multi-physics simulation for VR
This is the official C++ source code repository of the Bullet Physics SDK: real-time collision detection and multi-physics simulation for VR, games, visual effects, robotics, machine learning etc. We are developing a new differentiable simulator for robotics learning, called Tiny Differentiable Simulator, or TDS. The simulator allows for hybrid simulation with neural networks. It allows different automatic differentiation backends, for forward and reverse mode gradients. TDS can be trained... -
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MuJoCo-py
mujoco-py allows using MuJoCo from Python 3
mujoco-py is a Python wrapper for MuJoCo, a high-performance physics engine widely used in robotics, reinforcement learning, and AI research. It allows developers and researchers to run detailed rigid body simulations with contacts directly from Python, making MuJoCo easier to integrate into machine learning workflows. The library is compatible with MuJoCo version 2.1 and supports Linux and macOS, while Windows support has been deprecated. It provides utilities for loading models, running... -
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EVO is a simulation platform for co-evolving the morphology and the behavior of 3D artificial agents in a complex environment. This project directly follows the original work of Karl Sims. It puts together complex creatures, a GA & Open Dynamics Engine.
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pedsim
A microscopic pedestrian crowd simulation system and library
PEDSIM is a microscopic pedestrian crowd simulation system. The PEDSIM library allows you to use pedestrian dynamics in your own software. Based on pure C++ without additional packages, it runs virtually on every operating system. The PEDSIM Demo Application gives you a quick overview of the capabilities, and is a starting point for your own experiments. PEDSIM is suitable for use in crowd simulations (e.g. indoor evacuation simulation, large scale outdoor simulations), where one is interested in output like pedestrian density or evacuation time. ... -
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Arena is a computer simulation in which programs compete for CPU time and access to main memory. Processes such as the dynamics of punctuated equilibrium, host-parasite co-evolution and density dependent natural selection are amenable to investigation.
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PyBact is an open source software written in Python for Bacterial Identification. The software generates simulated data matrix which accurately represents the probabilistic positive/negative results of the tested biochemical test.
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Mito-MAS-m is a simulator of the mitochondrial inner membrane and the enzymatic complexes embedded in it, implementing a coarse-grained (CG) model of the molecules using rigid structures and Dissipative Particules Dynamics (DPD) as motion equation.
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Little b is a Lisp-based language which allows scientists to build shareable, reusable mathematical models of complex systems based on shared parts. The initial focus is molecular and multicellular networks. Project web page: http://www.littleb.org
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Botworx
Artificial Intelligence, 3D Graphics and Physics Framework
A C++ framework and applications for experimenting with artificial intelligence, 3D graphics and simulated physics. It's primary focus is to provide a testbed for simulated robotics using Ogre 3D and the Open Dynamics Engine.
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