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README.md
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emoji: 🏃
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colorFrom: red
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colorTo: blue
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sdk: static
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pinned: false
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---
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# SimXRD Database
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## Introduction
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The SimXRD database is a comprehensive resource for spectral data analysis, designed to facilitate the identification of crystal materials both in and out of library.
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## Version V1.0.0 (May 2024)
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This version introduces datasets for both In Library (IL) and Out of Library (OL) identification.
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### In Library (IL) Identification
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- **Train Dataset (Part One)**: [ILtrainV1_P1](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P1)
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- **Train Dataset (Part Two)**: [
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- **Validation Dataset**: [ILvalV1](https://huggingface.co/datasets/AI4Spectro/ILvalV1)
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- **Test Dataset**: [ILtestV1](https://huggingface.co/datasets/AI4Spectro/ILtestV1)
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- **Train Dataset**: [OLtrainV1](https://huggingface.co/datasets/AI4Spectro/OLtrainV1)
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- **Validation Dataset**: [OLvalV1](https://huggingface.co/datasets/AI4Spectro/OLvalV1)
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- **Test Dataset**: [OLtestV1](https://huggingface.co/datasets/AI4Spectro/OLtestV1)
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```
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```
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pip install ase
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ase db {name}.db
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```
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Here’s a revised version of the SimXRD Database documentation with improved formatting and clarity:
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---
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# SimXRD Database
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## Introduction
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The SimXRD database is a comprehensive resource for spectral data analysis, designed to facilitate the identification of crystal materials both **in** and **out of** library.
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## Version V1.0.0 (May 2024)
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This version introduces datasets for both **In Library (IL)** and **Out of Library (OL)** identification.
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### In Library (IL) Identification
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- **Train Dataset (Part One)**: [ILtrainV1_P1](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P1)
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- **Train Dataset (Part Two)**: [ILtrainV1_P2](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P2)
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- **Validation Dataset**: [ILvalV1](https://huggingface.co/datasets/AI4Spectro/ILvalV1)
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- **Test Dataset**: [ILtestV1](https://huggingface.co/datasets/AI4Spectro/ILtestV1)
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- **Train Dataset**: [OLtrainV1](https://huggingface.co/datasets/AI4Spectro/OLtrainV1)
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- **Validation Dataset**: [OLvalV1](https://huggingface.co/datasets/AI4Spectro/OLvalV1)
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- **Test Dataset**: [OLtestV1](https://huggingface.co/datasets/AI4Spectro/OLtestV1)
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## Check Dataset
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To check the dataset, you can use the following command:
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```bash
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pip install ase
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ase db {name}.db
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```
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---
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### Notes:
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- Ensure you replace `{name}` with the appropriate dataset name when using the `ase db` command.
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- If you have any issues or need further assistance, please refer to contact me.
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