nomad-coe / nomadLinks
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.
☆90Updated this week
Alternatives and similar repositories for nomad
Users that are interested in nomad are comparing it to the libraries listed below
Sorting:
- Specification of a common REST API for access to materials databases☆92Updated 3 weeks ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆62Updated this week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆100Updated 2 weeks ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 8 months ago
- Automatic generation of crystal structure descriptions.☆123Updated 2 weeks ago
- datalab is a place to store experimental data and the connections between them.☆65Updated this week
- Tools for implementing and consuming OPTIMADE APIs in Python☆77Updated this week
- Python package to aid materials design and informatics☆118Updated this week
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- jobflow is a library for writing computational workflows.☆104Updated this week
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆66Updated 3 weeks ago
- Building blocks for scientific data pipelines☆40Updated this week
- General purpose tools for high-throughput catalysis☆95Updated 2 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 2 years ago
- Statistical Mechanics on Lattices☆82Updated 3 weeks ago
- A Python library and command line interface for automated free energy calculations☆81Updated last week
- A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities☆86Updated 3 weeks ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆72Updated last week
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆146Updated 2 months ago
- A vectorised implementation of the Debye Scattering Equation on CPU and GPU☆31Updated 7 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆39Updated this week
- AlabOS: Managing the workflows in the Autonomous lab☆44Updated last week
- A post-processing engine for particle simulations☆44Updated last month
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years ago
- Grand canonical optimization of grain boundary phases.☆26Updated 2 months ago
- A python library for calculating materials properties from the PES☆106Updated this week
- An ecosystem for digital reticular chemistry☆48Updated 10 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- ☆21Updated 4 years ago
- Code for automated fitting of machine learned interatomic potentials.☆86Updated this week