README.md

metadata

pretty_name: MicroGen3D
tags:
  - GenAI
  - LDM
  - 3d
  - microstructure
  - diffusion-model
  - materials-science
  - synthetic-data
  - voxel
license: mit
datasets:
  - microgen3D
language:
  - en

# microgen3D

[![Code](https://img.shields.io/badge/GitHub-Code-black?logo=github)](https://github.com/baskargroup/MicroGen3D)

## Dataset Summary

**microgen3D** is a dataset of 3D voxelized microstructures designed for training, evaluation, and benchmarking of generative models—especially Conditional Latent Diffusion Models (LDMs). It includes both synthetic (Cahn-Hilliard) and experimental microstructures with multiple phases (2 to 3). The voxel grids range from `64³` up to `128×128×64`.

The dataset consists of three microstructure types:
- **Experimental microstructures**
- **2-phase Cahn-Hilliard microstructures**
- **3-phase Cahn-Hilliard microstructures**

The two Cahn-Hilliard datasets are thresholded versions of the same simulation source. For each dataset type, we also provide pretrained generative model weights, comprising:
- `vae.ckpt` – Variational Autoencoder
- `fp.ckpt` – Feature Predictor
- `ddpm.ckpt` – Denoising Diffusion Probabilistic Model

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## 📁 Repository Structure

microgen3D/ ├── data/ │ └── sample_data.h5 # Experimental or synthetic HDF5 microstructure file ├── models/ │ └── weights/ │ ├── experimental/ │ │ ├── vae.ckpt │ │ ├── fp.ckpt │ │ └── ddpm.ckpt │ ├── two_phase/ │ └── three_phase/ └── ...

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## 🚀 Quick Start

### 🔧 Setup Instructions

```bash
# 1. Clone the repo
git clone https://github.com/baskargroup/MicroGen3D.git
cd MicroGen3D

# 2. Set up environment
python -m venv venv
source venv/bin/activate  # On Windows use: venv\Scripts\activate

# 3. Install dependencies
pip install -r requirements.txt

# 4. Download dataset and weights (Hugging Face)
# Make sure HF CLI is installed and you're logged in: `huggingface-cli login`

from huggingface_hub import hf_hub_download

# Download sample data
hf_hub_download(repo_id="BGLab/microgen3D", filename="sample_data.h5", repo_type="dataset", local_dir="data")

# Download model weights
hf_hub_download(repo_id="BGLab/microgen3D", filename="vae.ckpt", local_dir="models/weights/experimental")
hf_hub_download(repo_id="BGLab/microgen3D", filename="fp.ckpt", local_dir="models/weights/experimental")
hf_hub_download(repo_id="BGLab/microgen3D", filename="ddpm.ckpt", local_dir="models/weights/experimental")

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📜 Citation

If you use this dataset or models, please cite:

@article{baishnab2025microgen3d,
  title={3D Multiphase Heterogeneous Microstructure Generation Using Conditional Latent Diffusion Models},
  author={Baishnab, Nirmal and Herron, Ethan and Balu, Aditya and Sarkar, Soumik and Krishnamurthy, Adarsh and Ganapathysubramanian, Baskar},
  journal={arXiv preprint arXiv:2503.10711},
  year={2025}
}

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⚖️ License

This project is licensed under the MIT License.

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