pyiron_experimental is based on pyiron_base to develop post processing workflows for experimental applications.

ParaDiS (Parallel Dislocation Simulator) is a massively parallel Discrete Dislocation Dynamics simulation tool to simulate motion and interaction of large ensembles of dislocations

User developments to extend and modify core pyiron functionality

A dataset of Curie temperatures automatically extracted from scientific literature with the use of the BERT-PSIE pipeline

A neural network implementation of Laue Pattern indexing

An implementation of the so-called Semantic Data Lake, using Apache Spark and Presto.

Crystallography Companion Agent with GUI

Python wrapper for the PubChem PUG REST API.

A LaTeX template for grant proposals to the DFG.

ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.

Tools for working with crystal dislocations

Repository for generic Python materials science tools

The Materials Project Workshop Curriculum

A curated list of awesome Python frameworks, libraries, software and resources

A curated list of awesome Jupyter projects, libraries and resources

The course materials for "Machine Learning in Chemistry 101"

NeuralNetworkPotentialPackage

Small exercises to get you used to reading and writing Rust code!

[ICLR 2020] A repository for extremely fast adversarial training using FGSM

Manage large and heterogeneous data spaces on the file system.

Workflow management for signac-managed data spaces.

Collaborative Collection of C++ Best Practices

The official code repository supporting the book, Grokking Artificial Intelligence Algorithms

Examples for the signac framework.

Python code for "Machine learning: a probabilistic perspective" (2nd edition)

Distributed Asynchronous Hyperparameter Optimization in Python