mpds-io / mpds-api
Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
☆25Updated 3 weeks ago
Related projects: ⓘ
- Implements core functions for AiiDAlab.☆14Updated 2 weeks ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated 9 months ago
- NIST Interatomic Potential Repository property calculation tools☆21Updated 4 months ago
- The Element Movers Distance for chemical composition similarity☆30Updated 6 months ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Updated 2 months ago
- Reference implementation in python for Citrination api☆14Updated 3 years ago
- Specification of a common REST API for access to materials databases☆81Updated 3 weeks ago
- Tools related to X-ray absorption spectroscopy (XAS)☆16Updated 2 months ago
- Python library written in C++ for calculation of local atomic structural environment☆58Updated 2 weeks ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆18Updated last week
- An algorithm to match crystal structures atom-to-atom☆50Updated last year
- Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats☆20Updated last week
- Be a master builder of databases of material properties. Avoid the Kragle.☆53Updated this week
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆43Updated this week
- LAMMPS plugin for AiiDA☆22Updated this week
- MongoDB aggregation machine☆38Updated this week
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆15Updated last week
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆34Updated this week
- High throughput workflow tools for characterizing 2D materials in VASP.☆20Updated last year
- Agent-based sequential learning software for materials discovery☆59Updated 7 months ago
- Python package to aid materials design and informatics☆95Updated last week
- A tool for calculating distortion parameters in coordination complexes.☆15Updated 5 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆49Updated 2 weeks ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆30Updated 2 years ago
- ☆16Updated 3 weeks ago
- Phonon for AiiDA☆17Updated 3 months ago
- Open source graphical interface to various DFT/Quantum chemistry codes☆17Updated last year
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆52Updated 6 months ago
- Defect analysis modules for pymatgen☆38Updated this week
- Tool for finding atomic environments in crystal structures☆21Updated 2 months ago