Vladimir Chupakhin chupvl
iwatobipen
/ espsim_with_cdk2_dataset.ipynb
Created
December 10, 2021 13:25
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samoturk
/ Dockerfile-rdkit
Last active
August 23, 2022 01:29
Docker file that installs docker container with rdkit, ipython notebook and matplotlib
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| # Docker file that installs docker container with rdkit, ipython notebook and matplotlib | |
| # | |
| # rename this file to "Dockerfile" | |
| # build with: "sudo docker build -t rdkit ." | |
| # run with: "sudo docker run -p 127.0.0.1:8889:8888 rdkit " | |
| # NOTE that here port 8888 gets mapped to 8889. | |
| # point your browser to http://127.0.0.1:8889/ | |
| FROM saltstack/ubuntu-13.10 | |
| # Add universe repository |