Leela S. Dodda leelasd
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| # syntax=docker/dockerfile:1 | |
| FROM ubuntu | |
| RUN apt-get update | |
| RUN apt-get install tcsh | |
| RUN mkdir app | |
| COPY boss0520.tar.gz app/boss0520.tar.gz | |
| WORKDIR "/app" | |
| RUN tar xovf boss0520.tar.gz | |
| RUN echo setenv BOSSdir /app/boss > ~/.cshrc | |
| RUN apt-get install wget -y |
leelasd
/ cats2d_example.ipynb
Created
February 17, 2022 14:32
— forked from iwatobipen/cats2d_example.ipynb
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leelasd
/ enum_cpds.ipynb
Created
February 17, 2022 14:32
— forked from iwatobipen/enum_cpds.ipynb
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leelasd
/ RG_Decomp_With_map.ipynb
Created
February 17, 2022 14:31
— forked from iwatobipen/RG_Decomp_With_map.ipynb
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leelasd
/ cats2d_example_2.ipynb
Created
February 17, 2022 14:23
— forked from iwatobipen/cats2d_example_2.ipynb
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leelasd
/ parchai_charge_viz.ipynb
Created
February 17, 2022 14:16
— forked from iwatobipen/parchai_charge_viz.ipynb
QM based partial charge calculation and visualization
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leelasd
/ AttentiveFP with color bar.ipynb
Created
February 17, 2022 13:51
— forked from iwatobipen/AttentiveFP with color bar.ipynb
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leelasd
/ rgroup_deconposition_rdkit20200301.ipynb
Created
February 17, 2022 13:48
— forked from iwatobipen/rgroup_deconposition_rdkit20200301.ipynb
rgroup decomposition with pandas tool kit
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leelasd
/ mol2fragment.ipynb
Created
February 17, 2022 13:44
— forked from iwatobipen/mol2fragment.ipynb
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leelasd
/ autogl_example.ipynb
Created
February 17, 2022 13:42
— forked from iwatobipen/autogl_example.ipynb
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