materials-informatics topic

Source code for generating materials with 20 space groups using PGCGM

MilesZhao

XRay Estimation and Refinement Using Similarity (XERUS)

pedrobcst

Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science

mpds-io

Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)

aronwalsh

Solid-state synthesis science analyzer. Thermo, features, ML, and more.

CederGroupHub

Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dil...

PhasesResearchLab

MACE-MP models

ACEsuit

nim Composition Space Optimization is a high-performance tool leveraging metaprogramming to implement several methods for selecting components (data dimensions) in compositional datasets, as to optimi...

amkrajewski

ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Science 2024)

eltonpan

A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai

chiang-yuan