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338 Database entries




Ratings:    8  votes

LAMMPS

LAMMPS Molecular Dynamics Simulator


Ratings:    2  votes

Packmol

Packmol creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space.


Ratings:    8  votes

LPMD

Las Palmeras Molecular Dynamics (LPMD) is a Molecular Dynamics (MD) code written from scratch in C++, as user-friendly, modular and multiplatform as possible.


Ratings:    4  votes

MDynaMix

This is a general purpose molecular dynamics code for simulations of mixtures of either rigid or flexible molecules, interacting by a force field consisting of Lennard-Jones, electrostatic, covalent bonds, angles and torsion angles potentials as well as of some optional terms, in a periodic rectangular, hexagonal or truncated octahedron cell.


Ratings:    9  votes

Music

Music stands for Multipurpose Simulation Code. It is designed, from the ground up, as an object-oriented molecular simulations code.


Ratings:    4  votes

Abalone

Biomolecular dynamics simulations of proteins, DNA, ligands.


Ratings:    6  votes

Atomic_Simulation_Environment

ASE is a Python package providing an Atomic Simulation Environment in the python language. There are modules for: building atomic structures, molecular dynamics, structure optimization, analysis and more.


Ratings:    1  votes

NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.


Ratings:    1  votes

DACAPO

DACAPO is an ab initio molecular dynamics code, based on ultra-soft pseudopotentials.


Ratings:    2  votes

Hippo

Hippo is a software package for simulation and analysis of bio-molecules at an atomic level. It has been specifically developed for very efficient protein folding studies in aqueous and membrane environments.


Ratings:    2  votes

NEWTON-X

A package for Newtonian dynamics close to the crossing seam


Ratings:    6  votes

Desmond

Desmond is a software package developed at D. E. Shaw Research to perform high-speed molecular dynamics simulations of biological systems on conventional commodity clusters. The code uses novel parallel algorithms and numerical techniques to achieve high performance and accuracy on platforms containing a large number of processors, but may also be executed on a single computer.


Ratings:    12  votes

DL_POLY

DL_POLY is a general purpose serial and parallel molecular dynamics simulation package.


Ratings:    5  votes

CPMD

The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.


Ratings:    2  votes

Adun.app

Adun is a multipurpose, open source molecular simulation framework.


Ratings:    2  votes

Gromacs

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.


Ratings:    3  votes

Moldy

Moldy is a general-purpose molecular dynamics simulation program. It is sufficiently flexible that it ought to be useful for a wide range of simulation calculations of atomic, ionic and molecular systems.


Ratings:    1  votes

AMMP

AMMP is a modern full-featured molecular mechanics, dynamics and modeling program.


Ratings:    1  votes

MDTools

The MDTools suite is a collection of programs, scripts, and utilities to make various modeling and simulation tasks easier.


Ratings:    0  votes

EGO

EGO: A Parallel Program for Molecular Dynamics Simulations of Biomolecules.


Ratings:    0  votes

MDGPU

MDGPU is a framework for Molecular Dynamics simulations with GPU support.


Ratings:    0  votes

Mindy

Mindy is a very simple, serial molecular dynamics program derived from NAMD source code.


Ratings:    0  votes

Moscito

Moscito is designed for condensed phase and gas phase MD simulations of molecular aggregates.


Ratings:    0  votes

OpenMM

OpenMM is a library which provides tools for modern molecular modeling simulation. As a library it can be hooked into any code, allowing that code to do molecular modeling with minimal extra coding.


Ratings:    0  votes

ORAC

A Molecular Dynamics Program to Simulate Complex Molecular Systems at the atomistic level.


Ratings:    0  votes

PINY_MD

PINY_MD(c) is capable of performing a wide variety of molecular dynamics, electronic structure, and geometry optimization calculations.


Ratings:    0  votes

xmd

XMD is a computer program for performing molecular dynamics simulations. It is designed for the simulation of metals and ceramics.


Ratings:    0  votes

Kalypso

Kalypso is a Windows-based molecular dynamics software package for simulation of atomic collisions in solid targets, and at surfaces.


Ratings:    0  votes

ProtoMol

ProtoMol is an object-oriented, component based, framework for molecular dynamics (MD) simulations. The framework supports the CHARMM 19 and 28a2 force fields and is able to process PDB, PSF, XYZ and DCD trajectory files.


Ratings:    0  votes

RedMD

RedMD is a an open source software to perform molecular dynamics simulations for coarse-grained models of proteins, nucleic acids and their complexes.


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