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Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
An experimental open-source attempt to make GPT-4 fully autonomous.
Computation of cage correlation function using trajectory files from LAMMPS
This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)
A GROMACS implementation of the ClayFF force field
Quantum chemistry and solid state physics software package
classical density-functional theory
Deep Neural Network Learning of Complex Binary Sorption Equilibria from Molecular Simulation Data
A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e. near an infinite hard or soft wall.
Estimate the self-diffusion coefficient of a trajectory with a Generalized Least Squares (GLS) optimization procedure.
POST code for second order elastic constant
Automatically exported from code.google.com/p/elba-lammps
A collection of all equation of state and DFT models implemented within the FeOs framework.
Core traits and functionalities for the `feos` project.
Generic classical DFT implementations for the `feos` project.
Implementation of the PC-SAFT equation of state and corresponding Helmholtz energy functional.
Fluid-phase Free-energy Calculation package for LAMMPS
LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
Gromacs to Lammps simulation converter
GROMACS input files
Force field fitting for HFCs with fffit package
Various scripts used during my master internship
MATLAB code for fluids density functional theory
Computation of the g-factor (dipole correlation) using trajectory file from LAMMPS
Public development project of the LAMMPS MD software package
LAMMPS input files
Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
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.