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Name: Shivani Srivastava
Type: User
Name: Shivani Srivastava
Type: User
Mathematical Introduction to Electronic Structure Theory
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
Open-source library for analyzing the results produced by ABINIT
Abinit tutorials based on AbiPy
Documentation that simply works
atomate is a powerful software for computational materials science and contains pre-built workflows.
Curated list of known efforts in materials informatics
Package to compute trap-assisted electron and hole capture in semiconducting compounds
A simple, robust and flexible just-in-time job management framework in Python.
Be a master builder of databases of material properties. Avoid the Kragle.
The Fireworks Workflow Management Repo.
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
API for webbook.nist.gov
Python API for NIST Chemistry WebBook
This is a repo that document the codes that used for processing DIBBS calculated NMR tensors as well as data mining and ML based on the DIBBS database
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Code to convert DFPT modes in OUTCAR files to VESTA images
The Materials Project Workshop Curriculum
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.