Initial commit

.idea/.gitignore

@@ -0,0 +1,8 @@
+# Default ignored files
+/shelf/
+/workspace.xml
+# Editor-based HTTP Client requests
+/httpRequests/
+# Datasource local storage ignored files
+/dataSources/
+/dataSources.local.xml

.idea/deployment.xml

@@ -0,0 +1,28 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="PublishConfigData" remoteFilesAllowedToDisappearOnAutoupload="false">
+    <serverData>
+      <paths name="bdaa02">
+        <serverdata>
+          <mappings>
+            <mapping local="$PROJECT_DIR$" web="/" />
+          </mappings>
+        </serverdata>
+      </paths>
+      <paths name="jiaxianyan@210.45.70.162:1702 password">
+        <serverdata>
+          <mappings>
+            <mapping local="$PROJECT_DIR$" web="/" />
+          </mappings>
+        </serverdata>
+      </paths>
+      <paths name="jiaxianyan@210.45.70.162:1702 password (1)">
+        <serverdata>
+          <mappings>
+            <mapping local="$PROJECT_DIR$" web="/" />
+          </mappings>
+        </serverdata>
+      </paths>
+    </serverData>
+  </component>
+</project>

.idea/inspectionProfiles/profiles_settings.xml

@@ -0,0 +1,6 @@
+<component name="InspectionProjectProfileManager">
+  <settings>
+    <option name="USE_PROJECT_PROFILE" value="false" />
+    <version value="1.0" />
+  </settings>
+</component>

.idea/mbp.iml

@@ -0,0 +1,12 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<module type="PYTHON_MODULE" version="4">
+  <component name="NewModuleRootManager">
+    <content url="file://$MODULE_DIR$" />
+    <orderEntry type="inheritedJdk" />
+    <orderEntry type="sourceFolder" forTests="false" />
+  </component>
+  <component name="PyDocumentationSettings">
+    <option name="format" value="NUMPY" />
+    <option name="myDocStringFormat" value="NumPy" />
+  </component>
+</module>

.idea/modules.xml

@@ -0,0 +1,8 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="ProjectModuleManager">
+    <modules>
+      <module fileurl="file://$PROJECT_DIR$/.idea/mbp.iml" filepath="$PROJECT_DIR$/.idea/mbp.iml" />
+    </modules>
+  </component>
+</project>

.idea/vcs.xml

@@ -0,0 +1,6 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<project version="4">
+  <component name="VcsDirectoryMappings">
+    <mapping directory="$PROJECT_DIR$" vcs="Git" />
+  </component>
+</project>

app.py

@@ -135,6 +135,7 @@ with gr.Blocks() as demo:
     ## Welcome to the MBP demo !
     - Feel free to upload your own examples. Please upload an individual ligand 3D file and an individual protein 3D file each time.
     - If you encounter any issues, please reach out to jiaxianyan@mail.ustc.edu.cn.
+    - All codes and data are available on the online platform https://github.com/jiaxianyan/MBP. 
     """)
 
     with gr.Row():