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.
☆21Updated last year
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☆24Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆58Updated 2 months ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Updated 2 years ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Phonons from ML force fields☆23Updated 6 months ago
- ☆18Updated 2 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆48Updated last week
- Active Learning for Machine Learning Potentials☆63Updated 2 months ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆26Updated 3 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated 2 years ago
- ☆19Updated 8 years ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆14Updated last month
- Random symmetric initialization of crystals☆25Updated 8 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated last week
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated 3 weeks ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆88Updated last week
- ☆41Updated last week
- A collection of files related to machine learning force fields☆22Updated 2 years ago
- ☆73Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆40Updated 3 months ago
- Basic sanity checks for MOFs.☆35Updated 2 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆92Updated 4 months ago
- Alchemical machine learning interatomic potentials☆33Updated last year
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆44Updated 2 weeks ago
- Charge equilibration method for crystal structures☆16Updated 3 years ago
- zeo++ fork of the LSMO☆23Updated 3 years ago