Added Dockerfile (#21)

* add docker

* update docker

* update dockerfile

* Update README.md

* Update README.md

* Update README.md

---------

Co-authored-by: Cong Lu <conglu97@outlook.com>

Dockerfile

@@ -0,0 +1,89 @@
+# Use Python 3.11 as the base image
+FROM python:3.11-bullseye
+
+# Avoid prompts from apt
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Set working directory
+WORKDIR /app
+
+# Install system dependencies including texlive-full
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    wget=1.21-1+deb11u1 \
+    git=1:2.30.2-1+deb11u2 \
+    build-essential=12.9 \
+    libssl-dev=1.1.1w-0+deb11u1 \
+    zlib1g-dev=1:1.2.11.dfsg-2+deb11u2 \
+    libbz2-dev=1.0.8-4 \
+    libreadline-dev=8.1-1 \
+    libsqlite3-dev=3.34.1-3 \
+    libncursesw5-dev=6.2+20201114-2+deb11u2 \
+    xz-utils=5.2.5-2.1~deb11u1 \
+    tk-dev=8.6.11+1 \
+    libxml2-dev=2.9.10+dfsg-6.7+deb11u4 \
+    libxmlsec1-dev=1.2.31-1 \
+    libffi-dev=3.3-6 \
+    liblzma-dev=5.2.5-2.1~deb11u1 \
+    texlive-full=2020.20210202-3 \
+    && rm -rf /var/lib/apt/lists/*
+
+# Upgrade pip
+RUN pip install --no-cache-dir --upgrade pip==24.2
+
+# Install Python packages
+RUN pip install --no-cache-dir \
+    anthropic==0.34.0 \
+    aider-chat==0.50.1 \
+    backoff==2.2.1 \
+    openai==1.40.6 \
+    matplotlib==3.9.2 \
+    pypdf==4.3.1 \
+    pymupdf4llm==0.0.10 \
+    torch==2.4.0 \
+    numpy==1.26.4 \
+    transformers==4.44.0 \
+    datasets==2.21.0 \
+    tiktoken==0.7.0 \
+    wandb==0.17.7 \
+    tqdm==4.66.5 \
+    scikit-learn==1.5.1 \
+    einops==0.8.0
+
+# Clone and install NPEET with a specific commit
+RUN git clone https://github.com/gregversteeg/NPEET.git
+WORKDIR /app/NPEET
+RUN git checkout 8b0d9485423f74e5eb199324cf362765596538d3 \
+    && pip install .
+
+# Clone the AI-Scientist repository
+WORKDIR /app
+RUN git clone https://github.com/SakanaAI/AI-Scientist.git
+
+# Set working directory to AI-Scientist
+WORKDIR /app/AI-Scientist
+
+# Prepare NanoGPT data
+RUN python data/enwik8/prepare.py && \
+    python data/shakespeare_char/prepare.py && \
+    python data/text8/prepare.py
+
+# Set up baseline runs
+RUN for dir in templates/*/; do \
+    if [ -f "${dir}experiment.py" ]; then \
+        cd "${dir}" || continue; \
+        python experiment.py --out_dir run_0 && \
+        python plot.py; \
+        cd /app/AI-Scientist || exit; \
+    fi \
+done
+
+# Create entrypoint script
+RUN printf '#!/bin/bash\n\
+python launch_scientist.py "$@"\n' > /app/entrypoint.sh && \
+    chmod +x /app/entrypoint.sh
+
+# Set the entrypoint
+ENTRYPOINT ["/app/entrypoint.sh"]
+
+# Set the default command to an empty array
+CMD []

README.md

@@ -28,7 +28,7 @@ We further provide all runs and data from our paper [here](https://drive.google.
 10. [Grokking Through Compression: Unveiling Sudden Generalization via Minimal Description Length](https://github.com/SakanaAI/AI-Scientist/tree/main/example_papers/mdl_grokking_correlation.pdf)
 11. [Accelerating Mathematical Insight: Boosting Grokking Through Strategic Data Augmentation](https://github.com/SakanaAI/AI-Scientist/tree/main/example_papers/data_augmentation_grokking.pdf)
 
-**Note**: Caution! This codebase will execute LLM-written code. There are various risks and challenges associated with this autonomy. This includes e.g. the use of potentially dangerous packages, web access, and potential spawning of processes. Use at your own discretion. Please make sure to containerize and restrict web access appropriately.
+**Note**: Caution! This codebase will execute LLM-written code. There are various risks and challenges associated with this autonomy. This includes e.g. the use of potentially dangerous packages, web access, and potential spawning of processes. Use at your own discretion. Please make sure to [containerize](#containerization) and restrict web access appropriately.
 
 <p align="center">
   <a href="https://github.com/SakanaAI/AI-Scientist/blob/main/example_papers/adaptive_dual_scale_denoising/adaptive_dual_scale_denoising.pdf"><img src="https://github.com/SakanaAI/AI-Scientist/blob/main/docs/anim-ai-scientist.gif" alt="Adaptive Dual Scale Denoising" width="80%" />
@@ -43,6 +43,7 @@ We further provide all runs and data from our paper [here](https://drive.google.
 5. [Template Resources](#template-resources)
 6. [Citing The AI Scientist](#citing-the-ai-scientist)
 7. [Frequently Asked Questions](#faq)
+8. [Containerization](#containerization)
 
 ## Requirements
 
@@ -270,3 +271,24 @@ Please refer to the instructions for different templates. In this current iterat
 ### How do I add support for a new foundation model?
 Please see this [PR](https://github.com/SakanaAI/AI-Scientist/pull/7) for an example of how to add a new model, e.g. this time for Claude via Bedrock.
 We do not advise any model that is significantly weaker than GPT-4 level for The AI Scientist.
+
+## Containerization
+
+We include a [community-contributed](https://github.com/SakanaAI/AI-Scientist/pull/21) Docker image that may assist with your containerization efforts in `Dockerfile`.
+
+You can use this image like this:
+
+```bash
+# Endpoint Script
+docker run -e OPENAI_API_KEY=$OPENAI_API_KEY <AI_SCIENTIST_IMAGE> \
+       --model “gpt-4o-2024-05-13” \
+       --experiment 2d_diffusion \
+       --num-ideas 1
+```
+
+```bash
+# Interactive
+docker run -it -e OPENAI_API_KEY=$OPENAI_API_KEY \
+  --entrypoint /bin/bash \
+  <AI_SCIENTIST_IMAGE>
+```