FAIRmat-NFDI / nomad-distro-devLinks
☆10Updated this week
Alternatives and similar repositories for nomad-distro-dev
Users that are interested in nomad-distro-dev are comparing it to the libraries listed below
Sorting:
- Python interface for the zeo++ package☆10Updated 10 months ago
- Grand canonical optimization of grain boundary phases.☆21Updated last month
- A NOMAD plugin containing base sections for measurements.☆14Updated last month
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- ☆20Updated last week
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- LAMMPS plugin for AiiDA☆25Updated this week
- Data Science for Materials - Collection of Open Educational Resources☆15Updated last week
- A Python 3 script to visualise atomic displacement using the Vesta file format☆17Updated 5 years ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆12Updated last year
- ☆17Updated last year
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Updated 3 months ago
- The ELN custom schemas from synthesis experiments☆11Updated 5 months ago
- A universal file format for gas adsorption experiments☆18Updated last week
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆37Updated last month
- Random symmetric initialization of crystals☆21Updated 7 years ago
- An example repository for creating a nomad distribution with custom plugins.☆10Updated this week
- Defect analysis modules for pymatgen☆49Updated this week
- The CP2K plugin for the AiiDA workflow and provenance engine.☆24Updated 2 months ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 7 months ago
- datalab is a place to store experimental data and the connections between them.☆64Updated this week
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 8 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated last year
- A collection of tools I created related to the molecular simulations package RASPA.☆11Updated last year
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆21Updated 2 years ago
- Band structure unfolding made easy!☆53Updated last week
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- The Element Movers Distance for chemical composition similarity☆34Updated 3 months ago
- Tutorial exercises for the OPTIMADE API☆15Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆11Updated 2 months ago