update requirements.txt

Dockerfile

@@ -2,7 +2,7 @@ FROM python:3.9.7
 
 WORKDIR /app
 COPY requirements.txt .
-RUN pip install -r requirements.txt
+RUN pip install -r --no-cache-dir requirements.txt
 # preload models
 RUN python -c '\
 from transformers import BartForConditionalGeneration, AutoTokenizer;\

Dockerfile-conda

@@ -7,7 +7,7 @@ RUN apt-get update && \
 RUN conda create --name fm4m python=3.9.7
 RUN conda activate fm4m
 COPY requirements.txt .
-RUN pip install -r requirements.txt
+RUN pip install -r --no-cache-dir requirements.txt
 COPY . .
 
 CMD ["python", "app.py"]

requirements.txt

@@ -29,3 +29,4 @@ pandas==2.2.3
 mordred
 ase==3.24.0
 torch_nl==0.3
+torch_scatter==2.1.2