Update README.md
Browse files
README.md
CHANGED
@@ -14,8 +14,7 @@ datasets:
|
|
14 |
## Model Description
|
15 |
|
16 |
|
17 |
-
This model predicts receptor classes from peptide sequences using the [ESM2](https://huggingface.co/docs/transformers/model_doc/esm) (Evolutionary Scale Modeling) protein language model with esm2_t6_8M_UR50D pre-trained weights.
|
18 |
-
|
19 |
It's particularly useful for researchers and practitioners in bioinformatics, drug discovery, and related fields, aiming to understand or predict peptide-receptor interactions.
|
20 |
|
21 |
## How to Use
|
@@ -67,6 +66,22 @@ for label, prob in zip(sorted_class_labels[:10], sorted_class_probabilities[:10]
|
|
67 |
|
68 |
```
|
69 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
70 |
|
71 |
## Evaluation Results
|
72 |
|
|
|
14 |
## Model Description
|
15 |
|
16 |
|
17 |
+
This model predicts receptor classes, identified by their PDB IDs, from peptide sequences using the [ESM2](https://huggingface.co/docs/transformers/model_doc/esm) (Evolutionary Scale Modeling) protein language model with esm2_t6_8M_UR50D pre-trained weights. The model is fine-tuned for receptor prediction using datasets from [PROPEDIA](http://bioinfo.dcc.ufmg.br/propedia2/) and [PepNN](https://www.nature.com/articles/s42003-022-03445-2), as well as novel peptides experimentally validated to bind to their target proteins, with binding conformations determined using ClusPro, a protein-protein docking tool. The name `pep2rec_cppp` reflects the model's ability to predict peptide-to-receptor relationships, leveraging training data from ClusPro, PROPEDIA, and PepNN.
|
|
|
18 |
It's particularly useful for researchers and practitioners in bioinformatics, drug discovery, and related fields, aiming to understand or predict peptide-receptor interactions.
|
19 |
|
20 |
## How to Use
|
|
|
66 |
|
67 |
```
|
68 |
|
69 |
+
Which gives this output:
|
70 |
+
|
71 |
+
```
|
72 |
+
Predicted Receptor Class: 1JXP
|
73 |
+
Top 10 Class Probabilities:
|
74 |
+
1JXP: 0.7793
|
75 |
+
2OIN: 0.0058
|
76 |
+
1A1R: 0.0026
|
77 |
+
2QV1: 0.0025
|
78 |
+
3KEE: 0.0022
|
79 |
+
3KF2: 0.0016
|
80 |
+
5LAS: 0.0016
|
81 |
+
1QD6: 0.0014
|
82 |
+
6ME1: 0.0013
|
83 |
+
2XCF: 0.0013
|
84 |
+
```
|
85 |
|
86 |
## Evaluation Results
|
87 |
|