---
license: mit
name: MP-20-DNG
tags:
  - MP-20
  - crystal-generation
  - materials-design
  - materials-discovery
  - de-novo-generation
  
---
# Description
This is an [OMatG (Open Materials Generation)](https://github.com/FERMat-ML/OMatG) model for de-novo generation 
(DNG) of inorganic crystals trained on the MP-20 dataset.  
  
The MP-20 dataset consists of structures from the Materials Project database containing 20 or fewer atoms.  
  
The subdirectories in this repository contain various model hyperparameters and training checkpoints for a 
variety of MP-20-DNG models.  

# Uses
The checkpoints and model hyperparameters can be used for de-novo generation of crystalline structures with 
OMatG, 
as described in the [this README.md file](https://github.com/FERMat-ML/OMatG/blob/main/README.md)

# Recommendations
The [Linear-SDE-Gamma checkpoints](https://huggingface.co/OMatG/MP-20-DNG/tree/main/Linear-SDE-Gamma) 
currently provide the best results with 
respect to structure stability, novelty, and uniqueness.

# Citation
Please cite [our paper on OpenReview](https://openreview.net/forum?id=gHGrzxFujU) if using OMatG.

# Links
[OMatG on GitHub](https://github.com/FERMat-ML/OMatG): See this repository for OMatG installation, training and usage instructions.  
[KIM Initiative](https://kim-initiative.org/): Knowledgebase of Interatomic Models. Tools and resources for researchers in materials science and chemistry.  
[Fermat-ML on GitHub](https://github.com/FERMat-ML): Foundational Representation of Materials. Machine learning foundation model for materials and chemistry discovery.