AiiDA Web API for data queries and workflow management.
☆12Feb 11, 2026Updated 2 weeks ago
Alternatives and similar repositories for aiida-restapi
Users that are interested in aiida-restapi are comparing it to the libraries listed below
Sorting:
- 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 6 months ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Dec 8, 2020Updated 5 years ago
- React wrapper for ngl☆23Mar 6, 2023Updated 2 years ago
- Specification of a common REST API for access to materials databases☆103Feb 6, 2026Updated 3 weeks ago
- LAMMPS plugin for AiiDA☆27Updated this week
- Illustrating how to publish battery data☆13May 27, 2025Updated 9 months ago
- IUPAC Project 2019-031-1-024 FAIR Spectroscopy Data Specification☆12Feb 18, 2026Updated last week
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Nov 19, 2025Updated 3 months ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Jan 23, 2026Updated last month
- CRIPT Python SDK☆11Apr 13, 2023Updated 2 years ago
- Python binding for Citrine's GEMD data model☆13Feb 19, 2026Updated last week
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Feb 22, 2022Updated 4 years ago
- A universal file format for gas adsorption experiments☆22Jan 6, 2026Updated last month
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated last month
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16May 20, 2024Updated last year
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 3 years ago
- Manage conda environments and packages with Ansible☆15Nov 19, 2021Updated 4 years ago
- A graph database tool for experimental data in materials science and chemistry.☆19Jan 7, 2025Updated last year
- A widget to visualize and edit atomic structures in Jupyter Notebook☆46Feb 20, 2026Updated last week
- ☆18Feb 1, 2023Updated 3 years ago
- Typed schema for writing reactive scientific documents.☆18Aug 3, 2022Updated 3 years ago
- ☆25Jan 22, 2025Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Sep 4, 2025Updated 5 months ago
- A Federated Scientific Data Management System☆27Updated this week
- Crystallography Companion Agent☆21Jul 8, 2022Updated 3 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 5 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year
- Create new MOFs by combining generative AI and simulation on HPC☆27Sep 30, 2025Updated 5 months ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Jan 9, 2026Updated last month
- open data sets for machine learning pertaining to porous materials☆27Nov 28, 2023Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆33Sep 4, 2024Updated last year
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆26Aug 28, 2022Updated 3 years ago
- interacting Dynamic Electrons Approach☆28Nov 11, 2025Updated 3 months ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆26Jan 24, 2026Updated last month
- XRay Estimation and Refinement Using Similarity (XERUS)☆37Sep 26, 2025Updated 5 months ago
- Tools for implementing and consuming OPTIMADE APIs in Python☆88Feb 23, 2026Updated last week
- Standard for interoperable scientific data exchange☆38Oct 16, 2024Updated last year