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GROMACS
Analyzed about 13 hours ago
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.
It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded
Licenses:
lgpl21
LAMMPS
L
Analyzed almost 2 years ago
LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or granular systems using a variety of force fields and boundary conditions and can be easily modified and extend
Licenses:
No declared licenses
ESPResSo++
Claimed by Max Planck Institute for Po... Analyzed about 15 hours ago
ESPResSo++ is a highy versatile, parallelized, scientific simulation software for coarse-grained simulations of atomic and molecular systems.
ESPResSo++ is the descendant of the ESPResSo simulation software. It is implemented in C++ and controlled via Python.
ESPResSo Soft Matter Simulation Software
Analyzed over 1 year ago
ESPResSo is a highly versatile software package for scientific simulations and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research, with emphasis on charged systems.
Licenses:
gpl3_or_l...
openpathsampling
O
Analyzed about 16 hours ago
An open source Python framework for transition interface and path sampling calculations.
Licenses:
No declared licenses
Python Macromolecular Library (mmLib)
Analyzed 1 day ago
The Python Macromolecular Library (mmLib) is a software toolkit and library of routines for the analysis and manipulation of macromolecular structural models, implemented in the Python programming language. It is accessed via a layered, object-oriented application programming interface, and provides
Licenses:
Artistic_...
PyMOL Molecular Graphics System
P
Analyzed 11 months ago
PyMOL is a Python-enhanced molecular graphics program. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source PyMOL is free to everyone
Licenses:
No declared licenses
simpatico
S
Analyzed about 2 hours ago
Simpatico is a very flexible package for Monte Carlo (MC), molecular dynamics (MD) and hybrid MD/MC simulations of classical mechanical models of polymeric and molecular liquids. It has thus far been used for simulating coarse-grained bead-spring models of polymer liquids. It provides