134 Open source projects that are alternatives of or similar to grand

Teaching Utility for Classical Atomistic Simulation.

Folding@home GPU benchmark

Experiments with expanded ensembles to explore chemical space

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

Python library for calculating properties of Steam and Water

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

Using supervised machine learning to build collective variables for accelerated sampling

A native Julia code for lattice QCD with dynamical fermions in 4 dimension.

Tinker9: Next Generation of Tinker with GPU Support

Object-oriented wrapper for EPANET 2.1

Contact map analysis for biomolecules; based on MDTraj

A Python implementation of the rough Bergomi model.

Lattice gas Monte Carlo simulation code

Some Monte Carlo tools

GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems

A hierarchical, component based molecule builder

Application of the L2HMC algorithm to simulations in lattice QCD.

Quant Option Pricing - Exotic/Vanilla: Barrier, Asian, European, American, Parisian, Lookback, Cliquet, Variance Swap, Swing, Forward Starting, Step, Fader

Read text files in Epanet's .inp and .rpt formats into R

⭐ 仿支付宝蚂蚁森林效果

Pytorch differentiable molecular dynamics

machine learning

Quantum mechanic mass spectrometry calculation program

Project migrated to : https://gitlab.com/Oslandia/qgis/qgis-epanet

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

Downloader for the Global Surface Water Data of the Copernicus Programme

Financial Derivatives Calculator with 168+ Models (Options Calculator)

Monte Carlo eXtreme (MCX) - GPU-accelerated photon transport simulator

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

RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine

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

UF3: a python library for generating ultra-fast interatomic potentials

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

A stylized water shader (and material presets) for Unity.

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

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

Computational Methods for Numerical Analysis

Python interface of cpptraj

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

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

High-performance operations for neural network potentials

An instructive one-file Ruby path tracer

Markov chain Monte Carlo solver for lattice spin systems implemented by Julialang

A Julia/JuMP Package for Water Distribution Network Optimization

Experimental small molecule hydration free energy dataset

AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations

Code for the General Lake Model

A simple way to add buoyancy / water physics in Unity, built on the existing physics engine

Python implementation of the Ising model

OpenMM testbed for constant-pH methodologies.

Procedural terrain generator with tessellation | C++ OpenGL 4.1

Classical Monte Carlo simulations for lattice spin systems

Monte Carlo Raytracer from Scratch in C++11/14

The source of the votca-csg and xtp packages

Python package to retrieve data from Databank Ondergrond Vlaanderen (DOV)

Packmol - Initial configurations for molecular dynamics simulations

A 2D water shader for Unity

How to analyze molecular dynamics data with PyEMMA

A probabilistic programming language that combines automatic differentiation, automatic marginalization, and automatic conditioning within Monte Carlo methods.

Tinker: Software Tools for Molecular Design