Automatic generation of crystal structure descriptions.
☆142Jun 15, 2026Updated 2 months ago
Alternatives and similar repositories for robocrystallographer
Users that are interested in robocrystallographer 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.☆263Jul 18, 2024Updated 2 years ago
- A code to generate atomic structure with symmetry☆385Updated this week
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- An automatic engine for predicting materials properties.☆174Nov 12, 2023Updated 2 years ago
- Electronic transport properties from first-principles calculations☆163Updated this week
- 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.☆203Updated this week
- Heavyweight plotting tools for ab initio calculations☆258Apr 9, 2026Updated 4 months ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆70Updated this week
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- plug-n-play black box optimizer for high-throughput computing☆52Mar 8, 2023Updated 3 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Updated this week
- A toolkit for visualizations in materials informatics.☆332Aug 23, 2026Updated last week
- Python package to aid materials design and informatics☆141Updated this week
- Data mining for materials science☆614Updated this week
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- CrySPY is a crystal structure prediction tool written in Python.☆154Jul 20, 2026Updated last month
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆558Apr 27, 2023Updated 3 years ago
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Python interface for VASP☆100Aug 25, 2026Updated last week
- A Python library for electronic structure pre/post-processing☆222Jan 29, 2026Updated 7 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆466Jul 27, 2026Updated last month
- Generate symmetrized force constants☆30Updated this week
- Fermi surface generation, analysis and visualisation.☆102Updated this week
- Tutorials for using the pymatgen library☆80May 27, 2025Updated last year
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆474Apr 18, 2026Updated 4 months ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆119Nov 7, 2025Updated 9 months ago
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆31May 17, 2021Updated 5 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆37Nov 7, 2019Updated 6 years ago
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆34Updated this week
- A python library for calculating materials properties from the PES☆150Updated this week
- Building blocks for scientific data pipelines☆43Updated this week
- ☆18Mar 24, 2025Updated last year
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week