pyscal / atomRDFLinks
atomRDF is a python tool for ontology-based creation, manipulation, and querying of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).
☆9Updated 2 months ago
Alternatives and similar repositories for atomRDF
Users that are interested in atomRDF are comparing it to the libraries listed below
Sorting:
- This repository contains organizational notes and details for the CECAM MADICES workshop, 7th-9th February 2022.☆13Updated 3 years ago
- Specification of a common REST API for access to materials databases☆90Updated 2 weeks ago
- The ELN custom schemas from synthesis experiments☆11Updated 5 months ago
- A NOMAD plugin containing base sections for measurements.☆14Updated last month
- The PMD Core Ontology (PMDco) official release repository☆18Updated last week
- 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.☆88Updated last week
- A universal file format for gas adsorption experiments☆18Updated last week
- Implements core functions for AiiDAlab.☆16Updated 3 weeks ago
- Elementary Multiperspective Material Ontology (EMMO)☆70Updated last week
- AiiDAlab App for Quantum ESPRESSO☆17Updated last week
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Updated 2 years ago
- More efficient and faster version of pyscal☆21Updated last month
- ☆20Updated last week
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆20Updated 5 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 7 months ago
- Up-scale python functions for high performance computing (HPC)☆34Updated last week
- Agent-based sequential learning software for materials discovery☆62Updated last year
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆9Updated 5 months ago
- We are developing a configurable measurement software (CAMELS), targeted towards the requirements of experimental solid-state physics. He…☆14Updated this week
- Set of scripts for working with Topas☆16Updated 2 months ago
- The official AiiDA plugin for Quantum ESPRESSO☆63Updated 2 weeks ago
- DLite - a lightweight data-centric framework for semantic interoperability☆39Updated last week
- Library for Crystal Symmetry in Rust☆52Updated 2 weeks ago
- Crystal structure container and parsers for structure formats.☆35Updated last week
- Phonon for AiiDA☆20Updated 3 months ago
- A Working Group on connecting and advancing interoperability of efforts on automated extraction of metadata from materials and chemical f…☆14Updated last year
- Find plugins for AiiDA☆18Updated this week
- A module for ASE for elastic constants calculation.☆44Updated 4 months ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆33Updated last week
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago