roolthasiva Goto Github PK
Name: Sivasakthi
Type: User
Bio: Research Scholar, GITAM University, Hyderabad, India.
Location: INDIA.
Blog: [email protected]
Name: Sivasakthi
Type: User
Bio: Research Scholar, GITAM University, Hyderabad, India.
Location: INDIA.
Blog: [email protected]
100 Days of ML Coding
Automated Conformer Search for Multi-structural Thermo-Kinetic Calculations
Best practice document for alchemical free energy calculations going to livecoms journal
A... M... L...
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
AutoTST: A framework to perform automated transition state theory calculations
Unofficial development repository for Cantera. WARNING: Branches other than 'master' and 2.0-svn' will be rebased.
Code for Simplifying Calculations with Cantera
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
My cheatsheets
Molecular Simulation of Materials - Fall 2015
Lectures for Udemy - Complete Python Bootcamp Course
Quantum chemistry and solid state physics software package
A C program to convert CP2K PDB trajectory file to VASP XDATCAR format
A collection of CP2k scripts.
Scanning probe microscopy simulation tools based on CP2K
Program to extract stress tensor components from CP2K output.
Contains some of the scripts and APIs to easily build a model by RMG
Electronic Structure Tool for Energy Estimation of Molecules
Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a pdb file, create the simulation system (box, add water and ions) and run minimisation, equilibration and production run.
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
i-PI: a universal force engine
Radiative and non-radiative rates
Public development project of the LAMMPS MD software package
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
Chapter by Chapter notes, exercises and code for a variety of machine learning books using Python
A collection of machine learning examples and tutorials.
Cloud-based molecular simulations for everyone
A modern, open library for the analysis of molecular dynamics trajectories
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.