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The Top 21 Fortran Molecular Dynamics Open Source Projects

Open source projects categorized as Fortran Molecular Dynamics
Categories > Science > Molecular Dynamics
Lammps ⭐ 1,944
Public development project of the LAMMPS MD software package
dependent packages 1total releases 10most recent commit 3 months ago
Q E ⭐ 524
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
total releases 5most recent commit 4 months ago
Examples ⭐ 265
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or follow the "Releases" link below.
most recent commit 3 months ago
Packmol ⭐ 174
Packmol - Initial configurations for molecular dynamics simulations
most recent commit 5 months ago
Tinker ⭐ 112
Tinker: Software Tools for Molecular Design
most recent commit 6 months ago
Q6 ⭐ 30
Q6 Repository -- EVB, FEP and LIE simulator.
most recent commit 6 months ago
Qcxms ⭐ 28
Quantum mechanic mass spectrometry calculation program
total releases 2most recent commit 5 months ago
Qball ⭐ 27
Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
most recent commit 4 years ago
Nap ⭐ 20
Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)
most recent commit 6 months ago
Q E_schrodinger ⭐ 18
Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
most recent commit 4 months ago
Rxmd ⭐ 18
RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine
most recent commit 9 months ago
Playmol ⭐ 13
Playmol is a(nother) software for building molecular models
most recent commit a year ago
Molsysmt ⭐ 11
Open source library to work with molecular systems
most recent commit 5 months ago
Qxmd ⭐ 10
QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine
most recent commit 9 months ago
Allen Tildesley ⭐ 10
Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for modernized and updated examples from the 2nd edition.
most recent commit 7 years ago
Abin ⭐ 8
Multipurpose ab initio MD program.
most recent commit 3 months ago
Dl Poly ⭐ 8
mirrored from https://gitlab.com/ccp5/dl-poly/
most recent commit 3 months ago
Caracal ⭐ 8
RPMD and rate constant calculations on black-box potential energy surfaces
most recent commit 7 days ago
Q E Sirius ⭐ 6
SIRIUS-enabled Quantum ESPRESSO
most recent commit 5 months ago
Aqua ⭐ 6
Python library for the analysis of molecular dynamics
most recent commit 8 years ago
Dcdfort ⭐ 5
Modern Fortran toolkit for reading in and analyzing DCD simulation trajectories output from LAMMPS
most recent commit 4 years ago
The 3 Latest Releases In Fortran Molecular Dynamics Open Source Projects
Lammps ⭐ 1,944
Public development project of the LAMMPS MD software package
dependent packages 1total releases 10latest release October 13, 2022most recent commit 3 months ago
Qcxms ⭐ 28
Quantum mechanic mass spectrometry calculation program
total releases 2latest release July 25, 2022most recent commit 5 months ago
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