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A HOOMD-blue component for soft matter simulations.
Analysis of colloidal crystal structures and their energetics based on radial distribution functions for all i-j pairs in each crystal. Rankings are based on user-defined pair potentials (Hamiltonian) which reflect their relative stabilities in the ground state (T = 0) limit.
Framework for characterizing colloidal self-assembly system states
A GPU-accelerated molecular dyanmics engine controlled through a powerful python interface
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Python module for calculating DNACC interaction potentials and binding details
Analysis of Flat Histogram Monte Carlo Simulations. Enables thermodynamic calculations such as bulk properties, phase equilibria, histogram reweighting, and histogram extrapolation.
Force fields in various formats
Public/backup repository of the gromacs molecular simulation toolkit
GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, and 2016.x, all with the same Python code) into python scripts. This is generally superior to shell scripts because of python’s better error handling and superior data structures. It also allows for modularization and code re-use. In addition, commands, warnings and errors are logged to a file so that there exists a complete history of what has been done.
Public development project of the LAMMPS MD software package
Monte Carlo method to obtain diffusion constants
:building_construction: Statistical models for biomolecular dynamics :building_construction:
Development version of plumed 2
Python API for Emma's Markov Model Algorithms
Example implementations of python interface for FEASST
Public release of SSAGES
Stokesian/Brownian Dynamics Simulation Toolkit
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.