A PhD student in computational material science. I enjoy studying materials using DFT, Molecular Dynamics, and Machine Learning!
- ⚡ Fun fact I love Pasta
Name: Sara A Tolba
Type: User
Package to plot band gap alignment
extracts elastic tensor and calculate the various mechanical properties from VASP finite difference results
HCVpred
A collection of files related to machine learning force fields
This repo hosts guide and scripts for on-the-fly training of Machine Learning Force Fields in VASP
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
OpenMP Training Series, May to October 2024
Modern parallelism techniques for training LLMs
My project for the Science Undergraduate Laboratory Internship program at Argonne National Laboratory
Code and data for building ML models and testing active learning strategies for polymer solar cells
A lightweight python package for reading and writing VASP ML_AB files
A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD) and Machine Learning Force Field Moelcular Dynamics (MLFF-MD) calculations using VASP, and post-processing tools. Scripts and files are designed to be easily modified to suit your own objectives.
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.