| --- |
| license: mit |
| library_name: pytorch |
| tags: |
| - crystallography |
| - x-ray-diffraction |
| - point-cloud |
| - single-crystal |
| - sidit |
| --- |
| |
| # SiDIT |
|
|
| This repository contains tensor-only parameters for the paper's SiDIT base model, which jointly predicts reflection families and crystal properties from single-crystal diffraction point clouds. |
|
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| The inference implementation and numerical preprocessing are available at [max6616/SiDIT on GitHub](https://github.com/max6616/SiDIT/tree/v0.1.2). Recovered test inputs are distributed in [max6616/SiD3M-test](https://huggingface.co/datasets/max6616/SiD3M-test/tree/jac-2026-10-12); consult the dataset card for their exact scope. |
|
|
| ## Parameters and configuration |
|
|
| `sidit-base-state-dict.pt` contains 523 state tensors, 194,915,607 bytes in total. The file contains the model parameters used for the benchmark and excludes optimizer state and Python argument objects. Loading uses `torch.load(path, map_location='cpu', weights_only=True)`; construct the model with the accompanying `config.json` and the GitHub implementation. |
|
|
| - Backbone: Point Transformer V3 encoder–decoder, base configuration. |
| - Per-point classes: 21 classes for each of h, k, and l, corresponding to `[-10, 10]`. |
| - Global outputs: crystal system, Laue class, point group, space group, and the nine-component cell head. |
| - Cell head: normalized lengths plus cosine/sine angles; decode in float32 as documented in the implementation. |
| - The checkpoint was saved at global step 80,000. |
|
|
| Model-file SHA-256: `22fceed0e9e303e97ce668cf71b092f39ab9446fe38ec350a4189bc97e389ad7`. |
|
|
| ## Scope |
|
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| The model produces canonical reflection-family labels and cell/symmetry candidates from the supplied simulated point-cloud format. Signed indexing additionally requires a common orientation and geometric verification and refinement. The dataset card specifies raw-input availability and benchmark result support. |
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| Authors: Zhao Zhang, Zheng Dong, Zhi Geng, Xinlong Dong, Yi Zhang, and Gaoqi He. Original implementation copyright 2025 Zhang Zhao; MIT license. Pointcept-derived code retains its upstream MIT notice in the software repository. |
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