Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
☆291Jun 1, 2026Updated last month
Alternatives and similar repositories for matgenb
Users that are interested in matgenb are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆143Jun 1, 2026Updated last month
- The Materials Project Workshop Curriculum☆121Mar 1, 2023Updated 3 years ago
- Data mining for materials science☆607Updated this week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆464Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆264Jul 18, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,928Updated this week
- ☆62Jul 19, 2022Updated 4 years ago
- A general parser for VASP☆16Updated this week
- atomate2 is a library of computational materials science workflows☆329Updated this week
- A toolkit for visualizations in materials informatics.☆320Jul 11, 2026Updated 2 weeks ago
- Public repo for Materials API documentation☆145Aug 20, 2022Updated 3 years ago
- ☆75Jun 17, 2026Updated last month
- Heavyweight plotting tools for ab initio calculations☆254Apr 9, 2026Updated 3 months ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆85Jul 16, 2026Updated last week
- 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.
- A Python library for electronic structure pre/post-processing☆215Jan 29, 2026Updated 5 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆184Jul 6, 2026Updated 2 weeks ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆559Apr 27, 2023Updated 3 years ago
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 5 years ago
- materials.sh☆10Sep 8, 2019Updated 6 years ago
- A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code☆124Jun 7, 2021Updated 5 years ago
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆522Mar 24, 2026Updated 4 months ago
- Graph deep learning library for materials☆565Updated this week
- Manipulating VASP files with Python.☆301May 15, 2026Updated 2 months 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.
- Topological analysis for Li local space, site, pathway in crystal structures☆15Jan 21, 2020Updated 6 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆109May 23, 2026Updated 2 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆46Feb 24, 2025Updated last year
- A plugin to AiiDA for running simulations with VASP☆65Updated this week
- Materials science with Python at the atomic-scale☆239Updated this week
- 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
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- A code to generate atomic structure with symmetry☆380Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆166Apr 22, 2026Updated 3 months 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.
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆115Feb 22, 2022Updated 4 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 7 months ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆394Feb 19, 2026Updated 5 months ago
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 3 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆40Jun 30, 2020Updated 6 years ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆269Updated this week