diff --git a/Dockerfile b/Dockerfile
new file mode 100644
index 0000000..acdd4d5
--- /dev/null
+++ b/Dockerfile
@@ -0,0 +1,12 @@
+FROM openjdk:8-jdk as buildContainer
+
+RUN apt-get update
+RUN apt-get install -y maven
+
+WORKDIR /opt/app
+COPY . /opt/app
+
+RUN chmod +x ./make.sh
+RUN bash ./make.sh
+
+CMD bash
\ No newline at end of file
diff --git a/README.md b/README.md
index c6e00ea..3a06723 100644
--- a/README.md
+++ b/README.md
@@ -22,7 +22,7 @@ target/lychi-0.5.1-jar-with-dependencies.jar
The self-contained jar file can be invoked directly. For example:
```
-java -jar target/lychi-0.5.1-jar-with-dependencies.jar tests/standardizer_case1.smi
+java -jar target/lychi-0.7.1-jar-with-dependencies.jar tests/standardizer_case1.smi
```
diff --git a/api/api.py b/api/api.py
new file mode 100644
index 0000000..d17b068
--- /dev/null
+++ b/api/api.py
@@ -0,0 +1,55 @@
+from flask import Flask, request, jsonify, render_template
+import subprocess
+import tempfile
+import os
+
+lychify = Flask("lychify")
+
+@lychify.route('/')
+def index():
+ return render_template('index.html')
+
+@lychify.route('/standardize', methods=['POST'])
+def standardize():
+ # Get the list of SMILES objects from the request
+ smiles_list = request.json['smiles_list']
+ counter = 0
+ if len(smiles_list) == 0:
+ return jsonify({'result': []})
+ # Write the SMILES objects to a temporary file
+ with tempfile.NamedTemporaryFile(delete=False, mode='w') as f:
+ for obj in smiles_list:
+ if ("id" in obj):
+ f.write(obj['smiles'] + '\t' + str(obj['id']) + '\n')
+ else:
+ counter += 1
+ f.write(obj["smiles"] + '\t' + "no_id:" + str(counter) + '\n')
+ filepath = f.name
+
+ # Create the command to call the Java application with the input file
+ command = ['java', '-jar', 'lychi-0.7.1-jar-with-dependencies.jar', filepath]
+
+ # Call the Java application using subprocess
+ process = subprocess.run(command, capture_output=True, text=True)
+
+ # Remove the temporary file
+ os.remove(filepath)
+
+ # Check if the command completed successfully
+ if process.returncode != 0:
+ return jsonify({'error': 'Failed to run Java application',
+ 'output': process.stdout.strip().split('\n')})
+
+ # Parse the output from the Java application and format the response
+ output = process.stdout.strip().split('\n')
+ formatted_output = []
+ for i, line in enumerate(output):
+ smiles, id, lychi = line.split('\t')
+ formatted_output.append({'smiles': smiles, 'id': id, 'lychi': lychi})
+
+ # Return the formatted output as a JSON response
+ return jsonify({'result': formatted_output})
+
+
+if __name__ == '__main__':
+ lychify.run(debug=True)
diff --git a/api/lychi-0.7.1-jar-with-dependencies.jar b/api/lychi-0.7.1-jar-with-dependencies.jar
new file mode 100644
index 0000000..9389281
Binary files /dev/null and b/api/lychi-0.7.1-jar-with-dependencies.jar differ
diff --git a/api/templates/index.html b/api/templates/index.html
new file mode 100644
index 0000000..49594fb
--- /dev/null
+++ b/api/templates/index.html
@@ -0,0 +1,18 @@
+
+
+
+ lychify
+
+
+Welcome to lychify!
+This is a web service to calculate lychi keys for any given chemical structure. See the repo here: https://github.com/ncats/lychi.
+To use this application, send a POST request to /standardize with a JSON payload containing a list of SMILES strings. The response will contain a JSON payload with the standardized SMILES strings.
+Here's an example payload:
+{
+ "smiles_list": [
+ {"smiles": "CCO", "id": "1"},
+ {"smiles": "COC", "id": "2"}
+ ]
+}
+
+
diff --git a/api/testapi.py b/api/testapi.py
new file mode 100644
index 0000000..3699780
--- /dev/null
+++ b/api/testapi.py
@@ -0,0 +1,31 @@
+import requests
+
+url = 'http://localhost:5000/standardize'
+
+response = requests.post(url, json={'smiles_list': []})
+print (response.json())
+
+long_smiles = "".join(['C' for i in range(10)])
+response = requests.post(url, json={'smiles_list': [{"smiles": long_smiles}]})
+print(response.json())
+
+invalid_list = [
+ {'smiles':'invalid','id':'1'},
+ {'smiles':'SMILES','id':'2'},
+ {'smiles':'strings','id':'3'}
+]
+response = requests.post(url, json={'smiles_list': invalid_list})
+print(response.json()) # Should return an error message or an empty result
+
+duplicate_list = [
+ {"smiles": "C", "id": "1"},
+ {"smiles": "CC", "id": "2"},
+ {"smiles": "C", "id": "3"},
+ {"smiles": "CCC", "id": "4"}
+]
+response = requests.post(url, json={'smiles_list': duplicate_list})
+print(response.json())
+
+aminophylline = [{"smiles":"Cn1c2nc[nH]c2c(=O)n(C)c1=O", "id": "aminophylline"}]
+response = requests.post(url, json={'smiles_list': aminophylline})
+print(response.json())
diff --git a/docker-compose.yml b/docker-compose.yml
new file mode 100644
index 0000000..88786f3
--- /dev/null
+++ b/docker-compose.yml
@@ -0,0 +1,7 @@
+version: '3'
+services:
+ dev:
+ build:
+ context: .
+ dockerfile: Dockerfile
+ tty: true
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