Be a master builder of databases of material properties. Avoid the Kragle.
☆68Jul 17, 2026Updated this 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☆43Jul 8, 2026Updated last week
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16May 15, 2026Updated 2 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆184Jul 6, 2026Updated 2 weeks ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆264Jul 18, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆200Jul 9, 2026Updated last week
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆85Updated this week
- atomate2 is a library of computational materials science workflows☆329Updated this week
- Automatic generation of crystal structure descriptions.☆140Jun 15, 2026Updated last month
- New API client for the Materials Project☆175Updated this week
- ☆32Nov 4, 2024Updated last year
- 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
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆52Jul 6, 2026Updated 2 weeks ago
- materials science related animations☆13Jan 9, 2025Updated last year
- A python library for calculating materials properties from the PES☆148Jul 10, 2026Updated last week
- A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.☆31Jun 11, 2026Updated last month
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆19Apr 24, 2026Updated 2 months ago
- ☆42Jul 14, 2026Updated last week
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 5 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆104Jul 2, 2026Updated 2 weeks ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆271Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- ☆18Jul 29, 2024Updated last year
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆240Updated this week
- jobflow is a library for writing computational workflows.☆124Jul 6, 2026Updated 2 weeks ago
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 7 months ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆119Nov 7, 2025Updated 8 months ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A toolkit for visualizations in materials informatics.☆320Jul 11, 2026Updated last week
- ☆12Jun 24, 2026Updated 3 weeks ago
- Python interface for VASP☆99Updated this week
- Python package to aid materials design and informatics☆135Updated this week
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆18Jul 2, 2026Updated 2 weeks ago
- The Fireworks Workflow Management Repo.☆423Jun 30, 2026Updated 3 weeks ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year