Enable multi-AI collaboration to streamline novel writing with slash commands for planning, drafting, reviewing, and managing story workflows in Claude Code.

A framework for random structure search using polynomial MLPs

Python package to aid materials design and informatics

A toolkit for visualizations in materials informatics.

My contributions to the conda-forge community - over 1000 packages with a total of over 500 million downloads and 500 000 downloads per day - primarily focused on materials informatics.

A general tool set for working with coarse-grained stk models

Graph deep learning library for materials

An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature at scale.

GitHub Page

The backend algorithms and framework associated with DREAM3DNX, a data analysis program for materials science data analytics

Ontology Design Patterns for Materials Science and Engineering

Flagship AI-native materials intelligence platform focused on diffusion physics, microstructure evolution, and predictive materials workflows.

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry

Example usage of Exabyte.io platform through its RESTful API: programmatically create materials and modeling workflows, execute simulations on the cloud, analyze data and build machine learning models

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

Machine learning and predictive intelligence framework for materials behaviour, phase stability, and property forecasting.

Materials data framework integrating experiments, characterization, DFT, and crystal structure datasets.

Workflow Definitions for Digital Materials/Chemistry R&D