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pipitoludovico/README.md
  • 👋 Hi, I’m Ludovico
  • 👀 I’m interested in computational chemistry, programming, QM and drug discovery!
  • 🌱 I’m currently working on MD pipelines, SBDD strategies, QM, programming and machine learning applied to molecular predictions
  • 💞️ I’m looking to collaborate on drug discovery using MD, QM or software development using Python or C++!
  • 📫 How to reach me: [email protected]

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  1. multiple_linear_regression multiple_linear_regression Public

    Python

  2. mol2Renumberer mol2Renumberer Public

    Renumber in an unique way the atoms in a mol2 file for paramchem!

    C++

  3. morgan_similarity_from_csv morgan_similarity_from_csv Public

    Python

  4. csv_reader csv_reader Public

    Java

  5. gbsa_on_pdb gbsa_on_pdb Public

    Plots the decomp analysis result on a pdb as a beta factor

    Python

  6. molecular_descriptors molecular_descriptors Public

    guess molecular descriptor from a csv or excel file that has a "SMILE" column

    Python