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A Docker image with Java, Python, R and RDKIT

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Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
base		base
spark		spark
zeppelin		zeppelin
.gitignore		.gitignore
README.md		README.md
build_chempack.py		build_chempack.py
build_spark.py		build_spark.py
build_zeppelin.py		build_zeppelin.py
builder.py		builder.py

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ChemPack

A Docker base image with the following:

Java JRE.
Python with matplotlib, seaborn, numpy, scipy and pandas.
RDKIT with bindings to python, java and C++.

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A Docker image with Java, Python, R and RDKIT

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