A python-based crystal viewer built upon the fresnel and pymatgen libraries.
☆16May 20, 2024Updated last year
Alternatives and similar repositories for abcv
Users that are interested in abcv are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- ☆42Mar 14, 2026Updated last week
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- 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.
- Agent-based sequential learning software for materials discovery☆62Feb 7, 2024Updated 2 years ago
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Mar 14, 2026Updated last week
- The Element Movers Distance for chemical composition similarity☆37Mar 21, 2025Updated last year
- Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.☆22Jul 8, 2022Updated 3 years ago
- The Wren sits on its Roost in the Aviary.☆61Jan 6, 2026Updated 2 months ago
- ☆10Sep 26, 2025Updated 5 months ago
- Library for Crystal Symmetry in Rust☆70Updated this week
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- 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.
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 3 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated last year
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- ☆12Jan 16, 2024Updated 2 years ago
- Useful scripts in Computaional Material Science.☆20Mar 12, 2026Updated 2 weeks ago
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 5 years ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 2023Updated 2 years ago
- Efficient visualization of particle data supporting several rendering engines.☆14Dec 10, 2021Updated 4 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆32Nov 30, 2024Updated last year
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- Matbench: Benchmarks for materials science property prediction☆191Aug 20, 2024Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- A toolkit for visualizations in materials informatics.☆307Updated this week
- Tools for implementing and consuming OPTIMADE APIs in Python☆89Mar 9, 2026Updated 2 weeks ago
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Mar 5, 2026Updated 3 weeks ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Sep 1, 2022Updated 3 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated last year
- 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
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 7 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆51Mar 2, 2026Updated 3 weeks ago