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helmutcarter/README.md
  • 👋 Hi, I’m @helmutcarter
  • 🤔 I’m a graduate student studying computational chemistry, solvation thermodynamics, and methods in computer aided drug design.
  • 🌱 I’m learning rust.
  • 📫 You can reach me @helmutcarter on twitter

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  1. alchemrs alchemrs Public

    Rust-first alchemical free energy analysis toolkit. Parse AMBER outputs, preprocess time series (equilibration, decorrelation), and run TI, BAR, MBAR, EXP/DEXP estimators plus overlap diagnostics. …

    Rust 1

  2. nn-entropy nn-entropy Public

    Estimate the configurational entropy of a molecular system, with a Rust library, CLI, and Python bindings.

    Rust

  3. bioinformatics_utilities bioinformatics_utilities Public

    A collection of bioinformatics utilities I wrote in undergrad for studying changes associated with alternative splicing events in RNA-seq data.

    Python

  4. python-ascii-plotter python-ascii-plotter Public

    An ascii function plotter for python. Written for Python 2 by Imri Goldberg and ported to Python 3 by myself.

    Python