69 Open source projects that are alternatives of or similar to reactorch

Automated reaction pathway search for gas-phase molecules

Universal modeling and simulation of fluid dynamics upon machine learning

Real-time fluid simulation in Javascript.

Benchmarking, testing, and development tools for differential equations and scientific machine learning (SciML)

Simple tool to download videos from kinetics dataset.

Software Suite for Advanced General Ensemble Simulations

STAPLE (Shared Tools for Automatic Personalised Lower Extremity modelling) consists of a collection of methods for generating skeletal models from three-dimensional bone geometries, usually segmented from medical images. The methods are currently being expanded to create complete musculoskeletal models.

A versatile Python-Fortran CFD code that solves a large class of 2D flows

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. This project is a Python interface to NeqSim.

A multi-block solver for massively parallel direct numerical simulations (DNS) of fluid flows

Helicopter Scientific Machine Learning (SciML) Challenge Problem

Wavelet Adaptive Block-Based solver for Interactions with Turbulence

CellMLToolkit.jl is a Julia library that connects CellML models to the Scientific Julia ecosystem.

Designs for new Base array interface primitives, used widely through scientific machine learning (SciML) and other organizations

No description or website provided.

Self advection, external force and pressure solve to a velocity field represented by a MaC grid.

Generative Adversarial Network (GAN) for physically realistic enrichment of turbulent flow fields

Automatic optimization and parallelization for Scientific Machine Learning (SciML)

Object-oriented multi-mesh version of the classic reacting turbulent multiphase flow solver

A lattice Boltzmann code for complex fluids

How to analyze molecular dynamics data with PyEMMA

Real time simulation and rendering of free surface fluid

Euler fluid simulated with CPP and SFML

Phantom Smoothed Particle Hydrodynamics and Magnetohydrodynamics code

An AI-targeted physical simulation platform.

United collection of hybrid Central solvers - one-phase, two-phase and multicomponent versions

Stable fluid simulation on GPU using WebGL.

Julia interface to Sundials, including a nonlinear solver (KINSOL), ODE's (CVODE and ARKODE), and DAE's (IDA) in a SciML scientific machine learning enabled manner

Uncertainty Quantification of RANS Data-Driven Turbulence Modeling

Solving differential equations in R using DifferentialEquations.jl and the SciML Scientific Machine Learning ecosystem

A library for building differential equations arising from physical problems for physics-informed and scientific machine learning (SciML)

Fast uncertainty quantification for scientific machine learning (SciML) and differential equations

ExaDG - High-Order Discontinuous Galerkin for the Exa-Scale

A framework for developing multi-scale arrays for use in scientific machine learning (SciML) simulations

General purpose tools for high-throughput catalysis

A code for fast, massively-parallel direct numerical simulations (DNS) of canonical flows

This package contains a macro for converting expressions to use muladd calls and fused-multiply-add (FMA) operations for high-performance in the SciML scientific machine learning ecosystem

Backend for DiffEqOnline, a webapp for scientific machine learning (SciML)

A component of the DiffEq ecosystem for enabling sensitivity analysis for scientific machine learning (SciML). Optimize-then-discretize, discretize-then-optimize, and more for ODEs, SDEs, DDEs, DAEs, etc.

Robust, Fast, and Parallel Global Sensitivity Analysis (GSA) in Julia

A DNS and LES box code

Gas models, combustion and gas turbine solver.

GPU-acceleration routines for DifferentialEquations.jl and the broader SciML scientific machine learning ecosystem

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

Julia Catalyst.jl importers for various reaction network file formats like BioNetGen and stoichiometry matrices

A sequence of Jupyter notebooks featuring the "12 Steps to Navier-Stokes" http://lorenabarba.com/

Surface reconstruction library and CLI for particle data from SPH simulations, written in Rust.

Vortex Lattice Method library written in Python

Basic Computational Fluid Dynamics (CFD) schemes implemented in FORTRAN using Finite-Volume and Finite-Difference Methods. Sample simulations and figures are provided.

Solvers for problems involving unsteady fluid flow

A minimal Stable Fluids inspired fluid solver with Python and NumPy.

Boundary value problem (BVP) solvers for scientific machine learning (SciML)

Chemical Reaction Neural Network

Python model solving the shallow water equations (linear momentum, nonlinear continuity)

A library of useful callbacks for hybrid scientific machine learning (SciML) with augmented differential equation solvers

A library of noise processes for stochastic systems like stochastic differential equations (SDEs) and other systems that are present in scientific machine learning (SciML)

Utility functions for exponential integrators for the SciML scientific machine learning ecosystem

Latent Differential Equations models in Julia.

Lightweight and easy generation of quasi-Monte Carlo sequences with a ton of different methods on one API for easy parameter exploration in scientific machine learning (SciML)

Unstructured Finite Volume Solver for Partial Differential Equations