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Programming
👋
Programming
85 followers · 77 following

Achievements

Achievement: Galaxy BrainAchievement: Pair Extraordinairex2Achievement: QuickdrawAchievement: Pull Sharkx3Achievement: StarstruckAchievement: YOLOAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Galaxy BrainAchievement: Pair Extraordinairex2Achievement: QuickdrawAchievement: Pull Sharkx3Achievement: StarstruckAchievement: YOLOAchievement: Arctic Code Vault Contributor

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Organizations

@VlachosGroup @chemprop

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JacksonBurns/README.md

Welcome to my GitHub!

I dug this comment up while attempting to compile an ancient computational chemistry program written in Fortran 77:

The following notes are discoveries made while attempting to figure out how this mess works. They are here so that you, poor soul that you are, don't have to reinvent the wheel (well, at least not the whole thing).

Hopefully my projects don't cause you anywhere near this level of frustration.

Jackson Burns's GitHub stats

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  1. astartes astartes Public

    Better Data Splits for Machine Learning

    Python 68 4

  2. fastsolv fastsolv Public

    fastsolv python package, website, and paper code

    Jupyter Notebook 2

  3. fastprop fastprop Public

    Fast Molecular Property Prediction with mordredcommunity

    Python 15 4

  4. py2opsin py2opsin Public

    Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature

    Python 44 4

  5. mordred-community mordred-community Public

    Forked from mordred-descriptor/mordred

    Community-Maintained Version of mordred

    Python 54 3

  6. py2sambvca py2sambvca Public

    Simple thin client to interface python scripts with SambVca catalytic pocket fortran calculator.

    Python 20 1