nomad-coe / nomad
NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.
☆77Updated this week
Related projects ⓘ
Alternatives and complementary repositories for nomad
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆79Updated this week
- The Element Movers Distance for chemical composition similarity☆31Updated 3 weeks ago
- Specification of a common REST API for access to materials databases☆83Updated last week
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆57Updated last week
- Be a master builder of databases of material properties. Avoid the Kragle.☆55Updated this week
- Defect analysis modules for pymatgen☆41Updated this week
- ☆19Updated this week
- jobflow is a library for writing computational workflows.☆96Updated this week
- A Python library and command line interface for automated free energy calculations☆71Updated 3 weeks ago
- datalab is a place to store experimental data and the connections between them.☆49Updated this week
- A NOMAD plugin containing base sections for measurements.☆14Updated this week
- An algorithm to match crystal structures atom-to-atom☆51Updated last year
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆52Updated last week
- An ecosystem for digital reticular chemistry☆44Updated 2 months ago
- MongoDB aggregation machine☆38Updated this week
- General purpose tools for high-throughput catalysis☆85Updated 4 months ago
- A python library for calculating materials properties from the PES☆66Updated 2 weeks ago
- LAMMPS plugin for AiiDA☆25Updated this week
- Tools related to X-ray absorption spectroscopy (XAS)☆17Updated 4 months ago
- ☆40Updated 3 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆27Updated 7 months ago
- ☆62Updated last year
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆34Updated 2 weeks ago
- Band structure unfolding made easy!☆43Updated this week
- Agent-based sequential learning software for materials discovery☆60Updated 9 months ago
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆77Updated last month
- Automatic generation of crystal structure descriptions.☆103Updated this week
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆23Updated 2 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆46Updated 4 months ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆20Updated last year