feat: add example notebook for using predict endpoint w/local docker container

inference-api-dev-template.ipynb

@@ -0,0 +1,129 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "id": "6a7a5d41-e6d7-4efa-a481-3182963ca888",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Collecting gradio_client\n",
+      "  Downloading gradio_client-1.3.0-py3-none-any.whl.metadata (7.1 kB)\n",
+      "Requirement already satisfied: fsspec in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from gradio_client) (2024.6.1)\n",
+      "Requirement already satisfied: httpx>=0.24.1 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from gradio_client) (0.27.0)\n",
+      "Collecting huggingface-hub>=0.19.3 (from gradio_client)\n",
+      "  Downloading huggingface_hub-0.24.7-py3-none-any.whl.metadata (13 kB)\n",
+      "Requirement already satisfied: packaging in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from gradio_client) (24.1)\n",
+      "Requirement already satisfied: typing-extensions~=4.0 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from gradio_client) (4.12.2)\n",
+      "Requirement already satisfied: websockets<13.0,>=10.0 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from gradio_client) (12.0)\n",
+      "Requirement already satisfied: anyio in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from httpx>=0.24.1->gradio_client) (4.4.0)\n",
+      "Requirement already satisfied: certifi in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from httpx>=0.24.1->gradio_client) (2024.7.4)\n",
+      "Requirement already satisfied: httpcore==1.* in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from httpx>=0.24.1->gradio_client) (1.0.5)\n",
+      "Requirement already satisfied: idna in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from httpx>=0.24.1->gradio_client) (3.7)\n",
+      "Requirement already satisfied: sniffio in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from httpx>=0.24.1->gradio_client) (1.3.1)\n",
+      "Requirement already satisfied: h11<0.15,>=0.13 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from httpcore==1.*->httpx>=0.24.1->gradio_client) (0.14.0)\n",
+      "Requirement already satisfied: filelock in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from huggingface-hub>=0.19.3->gradio_client) (3.15.4)\n",
+      "Requirement already satisfied: pyyaml>=5.1 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from huggingface-hub>=0.19.3->gradio_client) (6.0.1)\n",
+      "Requirement already satisfied: requests in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from huggingface-hub>=0.19.3->gradio_client) (2.32.3)\n",
+      "Requirement already satisfied: tqdm>=4.42.1 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from huggingface-hub>=0.19.3->gradio_client) (4.66.5)\n",
+      "Requirement already satisfied: exceptiongroup>=1.0.2 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from anyio->httpx>=0.24.1->gradio_client) (1.2.2)\n",
+      "Requirement already satisfied: charset-normalizer<4,>=2 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from requests->huggingface-hub>=0.19.3->gradio_client) (3.3.2)\n",
+      "Requirement already satisfied: urllib3<3,>=1.21.1 in /Users/danielkovtun/mamba-m1/envs/pinder/lib/python3.10/site-packages (from requests->huggingface-hub>=0.19.3->gradio_client) (2.2.2)\n",
+      "Downloading gradio_client-1.3.0-py3-none-any.whl (318 kB)\n",
+      "\u001b[2K   \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m318.7/318.7 kB\u001b[0m \u001b[31m3.4 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0ma \u001b[36m0:00:01\u001b[0m\n",
+      "\u001b[?25hDownloading huggingface_hub-0.24.7-py3-none-any.whl (417 kB)\n",
+      "\u001b[2K   \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m417.5/417.5 kB\u001b[0m \u001b[31m11.2 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n",
+      "\u001b[?25hInstalling collected packages: huggingface-hub, gradio_client\n",
+      "Successfully installed gradio_client-1.3.0 huggingface-hub-0.24.7\n"
+     ]
+    }
+   ],
+   "source": [
+    "!pip install gradio_client"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "id": "2c0171fa-ee2a-40b7-8578-aa8516b4ece9",
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Loaded as API: http://localhost:7860/ ✔\n",
+      "/private/var/folders/tt/x223wxwj6dzg3vjjgc_6y5bm0000gn/T/gradio/328e454ac0bf982b2abd88177da33ef6158d0cd32809949938608b942a6aa743/gradio.pdb 1.3538727760314941\n"
+     ]
+    }
+   ],
+   "source": [
+    "from gradio_client import Client, handle_file\n",
+    "from pathlib import Path\n",
+    "\n",
+    "client = Client(\"http://localhost:7860/\")\n",
+    "result = client.predict(\n",
+    "\t\treceptor_pdb=handle_file('./8i5w_R.pdb'),\n",
+    "\t\tligand_pdb=handle_file('./8i5w_L.pdb'),\n",
+    "\t\treceptor_fasta=None,\n",
+    "\t\tligand_fasta=None,\n",
+    "\t\tapi_name=\"/predict\"\n",
+    ")\n",
+    "output_pdb, runtime = Path(result[0]), result[1]\n",
+    "print(output_pdb, runtime)\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "id": "c530fde1-7f57-4991-a53e-b3855657f9fc",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "(PosixPath('pinder-inference-outputs/gradio.pdb'), True)"
+      ]
+     },
+     "execution_count": 6,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "import shutil\n",
+    "\n",
+    "local_dir = Path(\"./pinder-inference-outputs\")\n",
+    "local_dir.mkdir(exist_ok=True, parents=True)\n",
+    "\n",
+    "output_pdb = Path(shutil.copy(output_pdb, local_dir))\n",
+    "output_pdb, output_pdb.is_file() \n",
+    "\n"
+   ]
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "pinder",
+   "language": "python",
+   "name": "pinder"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.10.14"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}