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.
☆20Updated 11 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
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆43Updated this week
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- ☆18Updated 2 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆12Updated 2 years ago
- Active Learning for Machine Learning Potentials☆61Updated 3 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated 3 weeks ago
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- Python interface for the zeo++ package☆15Updated 3 months ago
- ☆26Updated 2 years ago
- Basic sanity checks for MOFs.☆32Updated 2 years ago
- ☆69Updated 2 years ago
- A Benchmarking Framework for Crystal GNNs☆20Updated last year
- zeo++ fork of the LSMO☆20Updated 2 years ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆78Updated 3 weeks ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆48Updated last week
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- Tutorial exercises for the OPTIMADE API☆16Updated 2 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆28Updated last week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Phonons from ML force fields☆23Updated 4 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated last month
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆41Updated 3 weeks ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 7 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆27Updated 9 months ago
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 8 months ago