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17 followers · 15 following
  • Aveiro, Portugal

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JosePereiraUA/README.md

Hi there 👋

My name is José Pereira, I'm a Biochemistry PhD student, with a major focus on Computational Chemistry. I'm currently studying at University of Aveiro, Portugal.

💻 My current focus: I’m currently working on ProtoSyn.jl. It's a Julia-based platform for molecular manipulation, with a focus on protein design simulations. Go check it out!

📚 My background: My main programming languages are Julia and Python.

🏆 Something about me: I used to play handball for many years and I'm a Scout since I'm 6 years old!

✉️ Contact me: Feel free to reach out in any social media ou via e-mail!

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  1. sergio-santos-group/ProtoSyn.jl sergio-santos-group/ProtoSyn.jl Public

    A Julia-based framework for molecular modelling

    Julia 57 7

  2. rosetta-scripts rosetta-scripts Public

    Some Rosetta Scripts that allow for various simple tasks

    Python 10 2

  3. cell-orientation-identificator cell-orientation-identificator Public

    This simple script allows the user to obtain both a .png file showing the identified cells and their oval orientations, as well as a .png graph with the polar histogram of the orientations of all c…

    Python

  4. photocatalytic_degradation photocatalytic_degradation Public

    A companion tool for analysis of photocatalytic degradations studies in VOC-72M gas analyser or similar equipement.

    Python

  5. zalign.py zalign.py Public

    Implementation of the Kabsch algorithm in Python for 3D structural alignment/RMSD calculation. Can read/write files in .pdb, .gro and .xyz formats.

    Python

  6. CarbGen.py CarbGen.py Public

    CarbGen is a molecular file generator for carbon materials

    Python 1