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abipy

Open-source library for analyzing the results produced by ABINIT

ai4stem

AI-based analytical tools for the analysis of STEM images.

arise

atomistic-parsers

database-parsers

developmental-parsers

doctoral_school_cea_bruyeres_2024

Repository for the doctoral school at the CEA Bruyeres-le-chatel (France), 29 Jan - 2 Feb 2024, "Towards ab initio simulations on exascale supercomputer"s

doctoral_school_paphos_2023

Repository for the doctoral summer school in Paphos (Cyprus) 3-8 October 2023, "Towards exascale solutions in Green function methods and advanced DFT"

electronic-parsers

greenx

Library for Green’s function based electronic structure theory calculations

hommmer

A simple Marketing Mix Modeling library for Python

imsi-workshop

materia

matid

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.

nomad-normalizer-plugin-atomic-descriptors

nomad-normalizer-plugin-bandstructure

nomad-normalizer-plugin-dos

nomad-normalizer-plugin-example

nomad-normalizer-plugin-simulation-workflow

nomad-normalizer-plugin-soap

nomad-normalizer-plugin-spectra

nomad-normalizer-plugin-system

nomad-parser-abacus

nomad-parser-abinit

This is a NOMAD parser for ABINIT. It will read ABINIT input and output files and provide all information in NOMAD's unified Metainfo based Archive format.

nomad-parser-aflow

This is a NOMAD parser for AFLOW. It will read AFLOW input and output files and provide all information in NOMAD's unified Metainfo based Archive format.

nomad-parser-amber

This is a NOMAD parser for Amber. It will read Amber input and output files and provide all information in NOMAD's unified Metainfo based Archive format.

nomad-parser-aptfim

This is a NOMAD parser for APTFIM. It will read APTFIM input and output files and provide all information in NOMAD's unified Metainfo based Archive format.

nomad-parser-aptfim-leap

This is a NOMAD parser for APTFIM-LEAP. It will read APTFIM-LEAP input and output files and provide all information in NOMAD's unified Metainfo based Archive format.

nomad-parser-asap

This is a NOMAD parser for ASAP. It will read ASAP input and output files and provide all information in NOMAD's unified Metainfo based Archive format.