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EnzymeML · Mar 2, 2024 · 53936a0 · 53936a0
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diff --git a/Dockerfile b/Dockerfile
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+FROM jupyter/datascience-notebook
+
+# Install packages
+RUN pip install --upgrade pip
+RUN pip install -r requirements.txt
diff --git a/README.md b/README.md
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-# EnzymeML_JupyterNotebook
+# JupterLab with EnzymeML tools
+
  🐳 Docker image with JupyterLab and EnzymeML-Python tools
diff --git a/requirements.txt b/requirements.txt
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+chromatopy @ git+https://github.com/FAIRChemistry/chromatopy
+MTPHandler @ git+https://github.com/FAIRChemistry/MTPHandler.git
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		chromatopy @ git+https://github.com/FAIRChemistry/chromatopy
		MTPHandler @ git+https://github.com/FAIRChemistry/MTPHandler.git