Be a master builder of databases of material properties. Avoid the Kragle.
☆66Apr 4, 2026Updated last week
Alternatives and similar repositories for emmet
Users that are interested in emmet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Mar 24, 2025Updated last year
- Building blocks for scientific data pipelines☆43Apr 1, 2026Updated last week
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆14Jan 23, 2026Updated 2 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆181Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆195Mar 30, 2026Updated last week
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆83Mar 30, 2026Updated last week
- atomate2 is a library of computational materials science workflows☆293Updated this week
- Automatic generation of crystal structure descriptions.☆134Updated this week
- New API client for the Materials Project☆164Apr 3, 2026Updated last week
- ☆29Nov 4, 2024Updated last year
- A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.☆30Mar 12, 2026Updated 3 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆95Mar 27, 2026Updated 2 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Updated this week
- materials science related animations☆13Jan 9, 2025Updated last year
- A python library for calculating materials properties from the PES☆136Updated this week
- ☆42Mar 28, 2026Updated 2 weeks ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆256Mar 31, 2026Updated last week
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆39Updated this week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆218Updated this week
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- ☆18Jul 29, 2024Updated last year
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 2 months ago
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- jobflow is a library for writing computational workflows.☆120Mar 23, 2026Updated 2 weeks ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆116Nov 7, 2025Updated 5 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Library for Crystal Symmetry in Rust☆70Updated this week
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 4 months ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- A toolkit for visualizations in materials informatics.☆308Updated this week
- ☆12Mar 27, 2026Updated 2 weeks ago
- Python interface for VASP☆93Mar 26, 2026Updated 2 weeks ago
- Python package to aid materials design and informatics☆133Mar 30, 2026Updated last week
- The core of the SEAMM environment and graphical interface.☆15Mar 19, 2026Updated 3 weeks ago
- The Fireworks Workflow Management Repo.☆424Apr 3, 2026Updated last week
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year