---
license: mit
task_categories:
- other
tags:
- crystal-structure
- materials-science
- generative-models
pretty_name: Crystalite Datasets
---

# Crystalite Datasets

Training and evaluation data for crystal structure generation.

## Datasets

- **alex_mp20** — Alexandria MP20 subset (nmax=20)
- **mpts_52** — MP structures up to 52 atoms (nmax=52)  
- **mp20** — MP20 split CSVs (note: can also be auto-downloaded from `chaitjo/MP20_ADiT`)

## Usage

Point `--data_root` and `--dataset_name` at the relevant directory after downloading.

## Checkpoint
We have included a DNG checkpoint from our best performing configuration at `best.pt`.