463 Open source projects that are alternatives of or similar to perses

ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

A curated list of Python packages related to chemistry

Tensorflow + Molecules = TensorMol

OpenMM testbed for constant-pH methodologies.

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Quickstart Python tutorials helping molecular dynamics practitioners get up to speed with OpenMM

Folding@home GPU benchmark

HOOMD-blue example scripts.

Public development project of the LAMMPS MD software package

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

Collective variables module for molecular simulation and analysis programs

Notebook-integrated tools for molecular simulation and visualization

pyiron - an integrated development environment (IDE) for computational materials science.

Quantum mechanic mass spectrometry calculation program

MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules

Modeling molecular ensembles with scalable data structures and parallel computing

Weighted Ensemble simulation framework in Python

WOSS is a multi-threaded C++ framework that permits the integration of any existing underwater channel simulator that expects environmental data as input and provides as output a channel realization. Currently, WOSS integrates the Bellhop ray-tracing program. Thanks to its automation the user only has to specify the location in the world and the…

The source of the votca-csg and xtp packages

NequIP is a code for building E(3)-equivariant interatomic potentials

Molecular dynamics simulation software

quantum-dynamics-hub.github.io/libra/index.html

Tool to build force field input files for molecular simulation.

😎 A curated list of awesome Molecular Dynamics libraries, tools and software.

Data management, integration and modeling with blocks #

General-purpose discrete-event multiagent simulation library for agent-based modelling and simulation

sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model

Cycle-accurate pre-silicon simulator of RISC-V and MIPS CPUs

DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.

Simulation of the propagation of incoherent light, aiming to illustrate the concept of spatial coherence.

Packmol - Initial configurations for molecular dynamics simulations

A low Mach number stellar hydrodynamics code

Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbour lists, etc.

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store

A Python library and command line interface for automated free energy calculations

Project for students who want to learn PLC programming but don't have access to real-world machines or constructions to learn programming on.

Physical validation of molecular simulations

Teaching Utility for Classical Atomistic Simulation.

Enables computations over a set of particles in N-dimensional space

A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.

Cross platform input simulation in Rust

📊复杂网络建模课程设计. The project of modeling of complex networks course.

Hackable HTTP proxy for resiliency testing and simulated network conditions

HMM implementation featuring Deal.II (FE) and LAMMPS (MD)

A fast simulator and a library dedicated to the channel coding.

Great resources for making Reinforcement Learning work in Real Life situations. Papers,projects and more.

C++ library for Parsing OpenScenario (1.1.1) & OpenDrive files (1.7) ASAM Specifications

Using supervised machine learning to build collective variables for accelerated sampling

Multibody dynamics tool kit.

Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

A Multi-Scale Model for Simulating Liquid-Hair Interactions

An extensible framework for high-performance geostatistics in Julia

A curated list of awesome edge computing, including Frameworks, Simulators, Tools, etc.

UCThello - a board game demonstrator (Othello variant) with computer AI using Monte Carlo Tree Search (MCTS) with UCB (Upper Confidence Bounds) applied to trees (UCT in short)

A hierarchical, component based molecule builder

Written in C++ and using SDL, The Powder Toy is a desktop version of the classic 'falling sand' physics sandbox, it simulates air pressure and velocity as well as heat.

Contemplative society simulation

A package for atom-typing as well as applying and disseminating forcefields

Framework and OpenAI Gym Environment for Autonomous Vehicle Development