Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
☆195Apr 24, 2026Updated this week
Alternatives and similar repositories for crystaltoolkit
Users that are interested in crystaltoolkit are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆261Jul 18, 2024Updated last year
- Be a master builder of databases of material properties. Avoid the Kragle.☆67Updated this week
- A suite of React components for the Materials Project, developed for use in Crystal Toolkit and the Materials Project public website.☆32Apr 17, 2026Updated last week
- A python library for calculating materials properties from the PES☆138Updated this week
- Building blocks for scientific data pipelines☆43Apr 22, 2026Updated last 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.
- Automatic generation of crystal structure descriptions.☆134Updated this week
- atomate2 is a library of computational materials science workflows☆298Updated this week
- A simple, robust and flexible just-in-time job management framework in Python.☆181Apr 6, 2026Updated 3 weeks ago
- Simmate: a full-stack framework for chemistry research.☆38Apr 23, 2026Updated last week
- A code to generate atomic structure with symmetry☆364Apr 21, 2026Updated last week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆453Apr 6, 2026Updated 3 weeks ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆84Apr 14, 2026Updated 2 weeks ago
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆257Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- jobflow is a library for writing computational workflows.☆120Apr 21, 2026Updated last week
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,861Updated this week
- Heavyweight plotting tools for ab initio calculations☆246Apr 9, 2026Updated 3 weeks ago
- A toolkit for visualizations in materials informatics.☆312Apr 9, 2026Updated 3 weeks ago
- Compute neighbor lists for atomistic systems☆78Updated this week
- ⚗️ 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
- New API client for the Materials Project☆167Updated this week
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆506Mar 24, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Collective atomic modulation analysis with irreducible space-group representation☆18Apr 20, 2026Updated last week
- The Materials Project Workshop Curriculum☆120Mar 1, 2023Updated 3 years ago
- Visualise lattice vibrations☆108Apr 4, 2026Updated 3 weeks ago
- Generate symmetrized force constants☆27Apr 23, 2026Updated last week
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆320Apr 7, 2025Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆145Apr 23, 2026Updated last week
- Band structure unfolding made easy!☆63Updated this week
- Materials science with Python at the atomic-scale☆234Apr 20, 2026Updated last week
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆12Apr 14, 2026Updated 2 weeks ago
- Data mining for materials science☆581Apr 20, 2026Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆98Apr 16, 2026Updated 2 weeks ago
- ☆18Jan 27, 2020Updated 6 years ago
- Plotly Dash components developed by the Materials Project☆32Apr 18, 2026Updated last week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆379Feb 19, 2026Updated 2 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Apr 6, 2026Updated 3 weeks ago