saicharan2804 commited on
Commit
09e358a
1 Parent(s): 14e9aa8

Add my evaluation metrics for molecular generation

Browse files
Files changed (3) hide show
  1. README.md +5 -0
  2. app.py +6 -0
  3. my_metric.py +11 -0
README.md CHANGED
@@ -7,6 +7,11 @@ sdk: gradio
7
  sdk_version: 4.19.1
8
  app_file: app.py
9
  pinned: false
 
 
 
 
 
10
  ---
11
 
12
  Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference
 
7
  sdk_version: 4.19.1
8
  app_file: app.py
9
  pinned: false
10
+ tags:
11
+ - evaluate
12
+ - metric
13
+ description: >-
14
+ Moses and PyTDC metrics
15
  ---
16
 
17
  Check out the configuration reference at https://huggingface.co/docs/hub/spaces-config-reference
app.py ADDED
@@ -0,0 +1,6 @@
 
 
 
 
 
 
 
1
+ import evaluate
2
+ from evaluate.utils import launch_gradio_widget
3
+
4
+
5
+ module = evaluate.load("saicharan2804/my_metric")
6
+ launch_gradio_widget(module)
my_metric.py ADDED
@@ -0,0 +1,11 @@
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import moses
2
+ from moses import metrics
3
+ import pandas as pd
4
+
5
+ def _compute(self, list_of_generated_smiles):
6
+ test_set = moses.get_dataset('test')
7
+ preprocessed_smiles = [smile for smile in list_of_generated_smiles if moses.utils.canonicalize_smiles(smile)]
8
+
9
+ results = metrics.get_all_metrics(preprocessed_smiles, test_set)
10
+
11
+ return results