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  1. Advanced toolkit for binding free energy calculations

    Python 12 8

  2. Forked from manubot/manubot

    The manuscript bot for automated scholarly publishing


  3. Nonequilibrium kinetic modeling of amino acid rotary motors

    Jupyter Notebook 1

  4. Forked from openforcefield/openff-toolkit

    Open Forcefield Group tools

    Jupyter Notebook

  5. Host-guest binding calculations with the SMIRNOFF99Frosst force field

    Jupyter Notebook

  6. Host-guest binding free energy calculations (mostly setup and analysis) using SMIRNOFF99Frosst.

    Jupyter Notebook 2

58 contributions in the last year

May Jun Jul Aug Sep Oct Nov Dec Jan Feb Mar Apr May Mon Wed Fri

Contribution activity

May 2021

Created an issue in SimonBoothroyd/plotmol that received 2 comments

Pass extra arguments to ColumnDataSource for more customized tooltips

It would be great to expose other sources of data that get passed to ColumnDataSource like some sort of molecule title, so that a custom tooltip_te…

Opened 1 other issue in 1 repository
1 closed
Started 1 discussion in 1 repository
Answered 1 discussion in 1 repository

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