Simplify model usage guide
Browse files
README.md
CHANGED
|
@@ -6,13 +6,21 @@ tags:
|
|
| 6 |
- spectrum-embedding
|
| 7 |
---
|
| 8 |
|
| 9 |
-
# UltraMS
|
| 10 |
|
| 11 |
-
|
| 12 |
|
| 13 |
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
|
| 17 |
-
|
| 18 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 6 |
- spectrum-embedding
|
| 7 |
---
|
| 8 |
|
| 9 |
+
# UltraMS Unsupervised
|
| 10 |
|
| 11 |
+
Use this model to obtain a general embedding of an MS/MS spectrum.
|
| 12 |
|
| 13 |
+
```bash
|
| 14 |
+
pip install ultrams
|
| 15 |
+
```
|
| 16 |
+
|
| 17 |
+
```python
|
| 18 |
+
from ultrams import UltraMS
|
| 19 |
+
|
| 20 |
+
model = UltraMS.from_pretrained("unsupervised")
|
| 21 |
+
embedding = model.encode(
|
| 22 |
+
mz=[100.1, 121.1, 150.0], intensity=[20, 100, 35], precursor_mz=301.2
|
| 23 |
+
).embedding
|
| 24 |
+
```
|
| 25 |
+
|
| 26 |
+
Fine-tuning examples are in the [UltraMS repository](https://github.com/Dsadd4/UltraMS).
|