lrcfmd / ICSDClientLinks
A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/index.xhtml for further details.
☆19Updated 9 months ago
Alternatives and similar repositories for ICSDClient
Users that are interested in ICSDClient are comparing it to the libraries listed below
Sorting:
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 3 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆39Updated last month
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆11Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- A Benchmarking Framework for Crystal GNNs☆20Updated last year
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated 3 weeks ago
- Random symmetric initialization of crystals☆22Updated 7 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated 9 months ago
- A Python 3 script to visualise atomic displacement using the Vesta file format☆17Updated 5 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆44Updated last week
- zeo++ fork of the LSMO☆18Updated 2 years ago
- Phonons from ML force fields☆23Updated 2 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆46Updated this week
- Python interface for the zeo++ package☆12Updated last month
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆13Updated this week
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆28Updated 2 weeks ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Updated last year
- ☆26Updated last year
- Tutorial exercises for the OPTIMADE API☆16Updated last year
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated 2 years ago
- A collection of files related to machine learning force fields☆21Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆25Updated 9 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆12Updated 2 months ago
- Create new MOFs by combining generative AI and simulation on HPC☆25Updated last month
- Active Learning for Machine Learning Potentials☆56Updated last month
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 7 months ago