Automatic generation of crystal structure descriptions.
☆138Jun 15, 2026Updated 2 weeks 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.☆265Jul 18, 2024Updated last year
- A code to generate atomic structure with symmetry☆378Jun 11, 2026Updated 3 weeks ago
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆198Jun 9, 2026Updated 3 weeks ago
- Electronic transport properties from first-principles calculations☆163May 25, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- An automatic engine for predicting materials properties.☆172Nov 12, 2023Updated 2 years ago
- Heavyweight plotting tools for ab initio calculations☆252Apr 9, 2026Updated 2 months ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆68Jun 22, 2026Updated last week
- Collective atomic modulation analysis with irreducible space-group representation☆18Jun 22, 2026Updated last week
- plug-n-play black box optimizer for high-throughput computing☆52Mar 8, 2023Updated 3 years ago
- A toolkit for visualizations in materials informatics.☆319Updated this week
- Python package to aid materials design and informatics☆135Updated this week
- Data mining for materials science☆604Jun 22, 2026Updated last week
- CrySPY is a crystal structure prediction tool written in Python.☆152Oct 6, 2025Updated 8 months ago
- 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.
- ⚗️ 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
- DFT post processing tools☆26Jul 24, 2024Updated last year
- 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
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆558Apr 27, 2023Updated 3 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Python interface for VASP☆98Jun 22, 2026Updated last week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆462Jun 23, 2026Updated last 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.
- A Python library for electronic structure pre/post-processing☆215Jan 29, 2026Updated 5 months ago
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆51May 3, 2026Updated 2 months ago
- Python script to plot periodic trends as a heat map over the periodic table of elements☆119Nov 7, 2025Updated 7 months ago
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆468Apr 18, 2026Updated 2 months ago
- Fermi surface generation, analysis and visualisation.☆102Updated this week
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆36Nov 7, 2019Updated 6 years ago
- Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.☆31May 17, 2021Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jun 25, 2026Updated last week
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆519Mar 24, 2026Updated 3 months ago
- ☆17Mar 24, 2025Updated last year
- A Large Language Model of the CIF format for Crystal Structure Generation☆160Mar 16, 2026Updated 3 months ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆389Feb 19, 2026Updated 4 months ago
- Building blocks for scientific data pipelines☆43Jun 22, 2026Updated last week
- atomate2 is a library of computational materials science workflows☆322Updated this week