Published September 15, 2026 | Version v1
Dataset Open

Model checkpoints for MatInvent: accelerating inverse materials design using generative diffusion models with reinforcement learning

Authors/Creators

  • 1. ROR icon École Polytechnique Fédérale de Lausanne

Description

Model checkpoints for MatInvent

Reinforcement learning workflow for goal-directed crystal generation with diffusion models.

This release corresponds to the version of the model checkpoints used for all results in the accompanying manuscript arxiv, which was accepted by Nature Machine Intelligence.

Files

MatInvent_checkpoints.zip

Files (1.7 GB)

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md5:5f1a52a5b1739da8218cbd253486972e
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Additional details

Funding

NCCR Catalysis
225147

Software

Repository URL
https://huggingface.co/jwchen25/MatInvent