aiidateam / aiida-restapiLinks
AiiDA Web API for data queries and workflow management.
☆12Updated this week
Alternatives and similar repositories for aiida-restapi
Users that are interested in aiida-restapi are comparing it to the libraries listed below
Sorting:
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆23Updated 5 years ago
- LAMMPS plugin for AiiDA☆27Updated 2 weeks ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year
- Specification of a common REST API for access to materials databases☆100Updated last month
- Implements core functions for AiiDAlab.☆16Updated last month
- A graph database tool for experimental data in materials science and chemistry.☆19Updated last year
- ☆23Updated last week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Updated last month
- A one-stop-shop for handling data in computational spectroscopy☆17Updated 2 weeks ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Updated last month
- Primer of crystal symmetry and space group☆16Updated last month
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Updated last month
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 5 months ago
- More efficient and faster version of pyscal☆28Updated last week
- Building blocks for scientific data pipelines☆43Updated 2 weeks ago
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆30Updated last year
- Library for Crystal Symmetry in Rust☆69Updated this week
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Updated 3 years ago
- The official AiiDA plugin for Phonopy☆20Updated last month
- A universal file format for gas adsorption experiments☆22Updated last month
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆12Updated 3 weeks ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆13Updated 2 weeks ago
- Software for evaluating pareto-optimal synthesis pathways☆24Updated last year
- Generate symmetrized force constants☆26Updated last week