nileshjchoudhary Goto Github PK
Name: Nilesh Choudhary
Type: User
Company: Indian Institute of Technology Tirupati
Bio: Chemical Engineer;multi-scale simulation; gas hydrates; nucleation; water simulation
Location: Tirupati
Name: Nilesh Choudhary
Type: User
Company: Indian Institute of Technology Tirupati
Bio: Chemical Engineer;multi-scale simulation; gas hydrates; nucleation; water simulation
Location: Tirupati
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
GRADE: A code to determine clathrate hydrate structures. GRADE analyzes atomic positions of water molecules to compute the number of 5(12), 6(2)5(12) and 6(4)5(12) cages and account for their three-dimensional structures. The output of GRADE can be used for visualization of clathrate hydrate evolution in trajectories using software such as VMD (Visual Molecular Dynamics). Four-body order parameter (F4) can also be calculated for trajectories.
gromacs git repository
Modelica library for the calculation of fluid properties from a Helmholtz energy equation of state (EoS).
Hands-on Introduction to Data Analysis for Genomics and Transcriptomics
Implements the INDUS method for several probe volume geometries.
2d JavaScript Particle System with gravity field simulation
Public development project of the LAMMPS MD software package
C++ toolkit for use in reading in and analyzing Gromacs files
A repository for tutorials and FAQ's about LigParGen
Universal extensible molecular simulation engine
Electronic structure code for molecules and clusters
Monte Carlo Simulation Code & Molecular Dynamics Code
Monte Carlo and Molecular Dynamics Simulation Package
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Quickly generate, start and analyze benchmarks for GROMACS and NAMD simulations.
MDMS: Molecular Dynamics Made Simple; Python program facilitating performing Molecular Dynamics simulations of proteins
Simulation code
Simple Molecular Dynamics code for Discovery-Driven approach to real gas properties.
A Monte Carlo molecular simulation software especially suited for polarizable models
OpenMM is a toolkit for molecular simulation using high performance GPU code.
An open source Python framework for transition interface and path sampling calculations.
Molstar PDBe implementation
PDBFixer fixes problems in PDB files
Input files to reproduce the results of the paper: Phase equilibrium of water with hexagonal and cubic ice using the SCAN functional
Draft nest
PLUMED website
Development version of plumed 2
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.