WMD-group/ElementEmbeddings
Python package to interact with high-dimensional representations of the chemical elements
This tool helps materials scientists understand and compare how different computational models 'see' chemical elements. It takes high-dimensional data representing chemical elements and processes them to reveal similarities and differences between various elemental or ionic embedding schemes. The output helps researchers interpret machine learning models and validate their underlying representations of elements.
Use this if you are a materials scientist or researcher who works with machine learning models and needs to evaluate or compare different ways that chemical elements are numerically represented (embeddings).
Not ideal if you are looking for a tool to train new machine learning models from scratch or to generate new elemental embeddings.
Stars
51
Forks
4
Language
Python
License
MIT
Category
Last pushed
Feb 23, 2026
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/embeddings/WMD-group/ElementEmbeddings"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.