File size: 2,733 Bytes
e9c697f | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 | # ── Dockerfile for Hugging Face Spaces ──────────────────────────────────────
# Stack: Python 3.11, TensorFlow 2.20, RDKit 2025, nfp 0.3.12, FastAPI/uvicorn
# HF Spaces requires the app to listen on port 7860.
# ----------------------------------------------------------------------------
FROM python:3.11-slim
WORKDIR /app
# ── System dependencies ──────────────────────────────────────────────────────
# libxrender1 + libxext6 are needed by RDKit's drawing code.
# git is needed if any pip package installs from a git URL.
RUN apt-get update && apt-get install -y --no-install-recommends \
libxrender1 \
libxext6 \
libglib2.0-0 \
git \
&& rm -rf /var/lib/apt/lists/*
# ── Python dependencies ──────────────────────────────────────────────────────
# We pin exact versions from your requirements.txt to guarantee reproducibility.
# Flask, ngrok, reportlab, scikit-learn, pillow are kept because your existing
# code may use them (e.g. mimis_drawing). Remove anything you know is unused.
RUN pip install --no-cache-dir \
fastapi==0.128.0 \
uvicorn==0.40.0 \
starlette==0.50.0 \
pydantic==2.12.5 \
tensorflow==2.20.0 \
keras==3.13.1 \
rdkit==2025.9.3 \
nfp==0.3.12 \
numpy==2.4.1 \
pandas==3.0.0rc2 \
joblib==1.5.3 \
networkx==3.6.1 \
scipy==1.17.0 \
scikit-learn==1.8.0 \
pillow==12.1.0 \
reportlab==4.4.9 \
h5py==3.15.1 \
requests==2.32.5 \
tqdm==4.67.1 \
python-dateutil==2.9.0.post0 \
six==1.17.0
# ── Copy application code ────────────────────────────────────────────────────
# Copy everything in your local directory into /app inside the container.
# Make sure your model weights (.keras) and vocab (.json) files are in the
# same directory as this Dockerfile before you push to HF.
COPY . .
# ── HF Spaces port ───────────────────────────────────────────────────────────
EXPOSE 7860
# ── Launch ───────────────────────────────────────────────────────────────────
CMD ["uvicorn", "api:app", "--host", "0.0.0.0", "--port", "7860"] |