Spaces:
Configuration error
Configuration error
Update README.md
Browse files
README.md
CHANGED
|
@@ -1,25 +1,20 @@
|
|
| 1 |
-
|
| 2 |
-
|
| 3 |
-
emoji: 🏃
|
| 4 |
-
colorFrom: red
|
| 5 |
-
colorTo: blue
|
| 6 |
-
sdk: static
|
| 7 |
-
pinned: false
|
| 8 |
---
|
| 9 |
|
| 10 |
# SimXRD Database
|
| 11 |
|
| 12 |
## Introduction
|
| 13 |
-
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.
|
| 14 |
|
| 15 |
## Version V1.0.0 (May 2024)
|
| 16 |
|
| 17 |
-
This version introduces datasets for both In Library (IL) and Out of Library (OL) identification.
|
| 18 |
-
|
| 19 |
### In Library (IL) Identification
|
| 20 |
|
| 21 |
- **Train Dataset (Part One)**: [ILtrainV1_P1](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P1)
|
| 22 |
-
- **Train Dataset (Part Two)**: [
|
| 23 |
- **Validation Dataset**: [ILvalV1](https://huggingface.co/datasets/AI4Spectro/ILvalV1)
|
| 24 |
- **Test Dataset**: [ILtestV1](https://huggingface.co/datasets/AI4Spectro/ILtestV1)
|
| 25 |
|
|
@@ -28,12 +23,19 @@ This version introduces datasets for both In Library (IL) and Out of Library (OL
|
|
| 28 |
- **Train Dataset**: [OLtrainV1](https://huggingface.co/datasets/AI4Spectro/OLtrainV1)
|
| 29 |
- **Validation Dataset**: [OLvalV1](https://huggingface.co/datasets/AI4Spectro/OLvalV1)
|
| 30 |
- **Test Dataset**: [OLtestV1](https://huggingface.co/datasets/AI4Spectro/OLtestV1)
|
| 31 |
-
```
|
| 32 |
|
| 33 |
-
|
|
|
|
|
|
|
| 34 |
|
| 35 |
-
```
|
| 36 |
pip install ase
|
| 37 |
|
| 38 |
ase db {name}.db
|
| 39 |
-
```
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
Here’s a revised version of the SimXRD Database documentation with improved formatting and clarity:
|
| 2 |
+
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 3 |
---
|
| 4 |
|
| 5 |
# SimXRD Database
|
| 6 |
|
| 7 |
## Introduction
|
| 8 |
+
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.
|
| 9 |
|
| 10 |
## Version V1.0.0 (May 2024)
|
| 11 |
|
| 12 |
+
This version introduces datasets for both **In Library (IL)** and **Out of Library (OL)** identification.
|
| 13 |
+
|
| 14 |
### In Library (IL) Identification
|
| 15 |
|
| 16 |
- **Train Dataset (Part One)**: [ILtrainV1_P1](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P1)
|
| 17 |
+
- **Train Dataset (Part Two)**: [ILtrainV1_P2](https://huggingface.co/datasets/AI4Spectro/ILtrainV1_P2)
|
| 18 |
- **Validation Dataset**: [ILvalV1](https://huggingface.co/datasets/AI4Spectro/ILvalV1)
|
| 19 |
- **Test Dataset**: [ILtestV1](https://huggingface.co/datasets/AI4Spectro/ILtestV1)
|
| 20 |
|
|
|
|
| 23 |
- **Train Dataset**: [OLtrainV1](https://huggingface.co/datasets/AI4Spectro/OLtrainV1)
|
| 24 |
- **Validation Dataset**: [OLvalV1](https://huggingface.co/datasets/AI4Spectro/OLvalV1)
|
| 25 |
- **Test Dataset**: [OLtestV1](https://huggingface.co/datasets/AI4Spectro/OLtestV1)
|
|
|
|
| 26 |
|
| 27 |
+
## Check Dataset
|
| 28 |
+
|
| 29 |
+
To check the dataset, you can use the following command:
|
| 30 |
|
| 31 |
+
```bash
|
| 32 |
pip install ase
|
| 33 |
|
| 34 |
ase db {name}.db
|
| 35 |
+
```
|
| 36 |
+
|
| 37 |
+
---
|
| 38 |
+
|
| 39 |
+
### Notes:
|
| 40 |
+
- Ensure you replace `{name}` with the appropriate dataset name when using the `ase db` command.
|
| 41 |
+
- If you have any issues or need further assistance, please refer to contact me.
|