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README.md

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+---
+license: cc-by-4.0
+task_categories:
+  - image-to-image
+  - image-classification
+tags:
+  - microscopy
+  - electron-microscopy
+  - HAADF-STEM
+  - simulation
+  - materials-science
+  - crystallography
+  - webdataset
+size_categories:
+  - n<1K
+configs:
+  - config_name: default
+    data_files:
+      - split: train
+        path: "train-*.tar"
+---
+
+# Atomagined Dataset (WebDataset)
+
+Simulated atomic-resolution HAADF-STEM images from the [atomagined](https://github.com/MaterialEyes/atomagined) dataset. Each image is a 256x256 simulation of a unique ICSD crystal structure prototype viewed along a specific crystallographic direction, with various post-processing distortion conditions applied.
+
+## Dataset Description
+
+This is a WebDataset conversion of the atomagined proxy dataset (subset available via GitHub). The full dataset (~67,871 images) is hosted on the [Materials Data Facility](https://doi.org/10.18126/szeq-yde5). This version contains 299 samples from 61 unique structure/orientation combinations across three subsets: general simulations, retrieval targets, and retrieval choices.
+
+Each h5 file in the original data contains multiple distortion variants of the same simulation. These have been flattened so that each (structure, distortion) pair is an individual sample.
+
+## Format
+
+WebDataset format: 1 TAR shard, 76 MB total.
+
+Each sample in the shard contains:
+- `{idx:06d}.npy` — 256x256 float32 HAADF-STEM image
+- `{idx:06d}.json` — metadata
+
+### Metadata Fields
+
+| Field | Type | Description |
+|-------|------|-------------|
+| `ref_id` | string | Reference ID: `{ICSD_CollCode}.{uvw_encoding}` |
+| `subset` | string | Dataset subset: `general`, `targets`, or `choices` |
+| `distortion` | string | Distortion condition (e.g., `raw`, `stem00-clean`, `stem00-blur1`, `stem00-cnts2`) |
+| `width` | int | Image width (256) |
+| `height` | int | Image height (256) |
+| `min_value` | float | Minimum pixel intensity |
+| `max_value` | float | Maximum pixel intensity |
+| `mean_value` | float | Mean pixel intensity |
+| `std_value` | float | Standard deviation of pixel intensity |
+| `icsd_id` | string | ICSD collection code |
+| `chemical_name` | string | Systematic chemical name |
+| `chemical_formula` | string | Structural chemical formula |
+| `structure_type` | string | Crystal structure type |
+| `space_group` | string | Space group name |
+| `space_group_number` | string | International Tables space group number |
+| `uvw_orient` | string | Viewing direction [u,v,w] |
+| `hkl_orient` | string | Miller indices of the viewing plane |
+| `n_atoms_projected` | int | Number of atom columns in the projection |
+
+### Distortion Conditions
+
+| Code | Description |
+|------|-------------|
+| `raw` | Raw simulation output |
+| `stem00-clean` | Clean (no distortion) |
+| `stem00-blur{1,2}` | Gaussian blur (two levels) |
+| `stem00-cnts{1,2}` | Count noise / Poisson noise |
+| `stem00-scan{1,2}` | Scan distortion |
+| `stem00-bkgd{1,2}` | Background noise |
+| `stem00-dfct{1,2}` | Structural defects |
+| `stem00-blbk{1,2}` | Blur + background combined |
+| `stem01-comb1` | Combined distortion level 1 |
+| `stem02-comb2` | Combined distortion level 2 |
+
+## Usage
+
+```python
+import webdataset as wds
+import numpy as np
+from torch.utils.data import DataLoader
+
+url = "path/to/atomagined_wds/train-0000.tar"
+dataset = wds.WebDataset(url).decode()
+dataloader = DataLoader(dataset, batch_size=32, num_workers=2)
+
+for sample in dataloader:
+    image = sample[".npy"]      # 256x256 float32
+    metadata = sample[".json"]  # dict with ICSD info, distortion type, etc.
+```
+
+## Source
+
+Original data from [MaterialEyes/atomagined](https://github.com/MaterialEyes/atomagined). Full dataset on [Materials Data Facility](https://doi.org/10.18126/szeq-yde5).
+
+## Citation
+
+Schwenker, E. et al. *Image Matching for Computer Vision in Atomic-Resolution Electron Microscopy*, 2020.
+
+## License
+
+CC-BY-4.0

train-0000.tar

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