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53 followers · 196 following
  • University of Strathclyde
  • Glasgow, Scotland
  • 05:28 (UTC)
  • X @2AUK_C

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  1. pyRISM pyRISM Public

    Implementation of the Reference Interaction-Site Model (RISM) equation

    Rust 19 2

  2. SFED SFED Public

    3D Solvation Free Energy Distributions

    Python 2

  3. CQCPP CQCPP Public

    C++ Computational Chemistry software designed mainly as a learning tool.

    C++

  4. aasol aasol Public

    Minimal Rust library for the Direct Inversion in the Iterative Subspace (DIIS) algorithm and its variants

    Rust 4