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pedrojuanbj/README.md

Pedro J. Buigues

Hello! I am Pedro J. Buigues, a 4th Year PhD Student at University College London (UCL) in the Rosta group. Bachelor’s in Biotechnology, Master’s in Advanced Molecular and Therapeutic Biotechonology. Studies about enhanced sampling methods for molecular dynamics simulations applying machine learning.

Experienced with Python coding/scripting as well as running jobs on HPC, also running trajectories on molecular dynamics (MD) packages (NAMD, AMBER, GROMACS, OPENMM, etc.), Machine Learning libraries (tensorflow, sklearn, pytorch) as well as MD analysis packages and Pymol/VMD. A bit of Matlab experience and profound in bash/Linux.

Awarded with the Fundamentals of Deep Learning certificate by the NVIDIA Deep Learning Institute.
Experience deploying ML models (MLP, LSTM, CNN, GBDT, etc.)

About me

✨ Interested in Artificial Intelligence, Drug Discovery and Bioinformatics.
📚 I'm currently doing a PhD in Computational Biophysics
🎯 Goals: I would like to work on AI-mediated drug discovery on both developing methodology and application.
🎲 Fun fact: I enjoy musicals and did 3 years of drama during high-school. I also signed in a school choir for 3 years.

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Programming skills

python logo tensorflow logo numpy logo jupyter logo pycharm logo matlab logo linux logo bash logo visualstudio logo html5 logo css3 logo

How to reach me

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Popular repositories

  1. MLTSA MLTSA Public

    Machine Learning Transition State Analysis (MLTSA) suite with Analytical models to create data on demand and test the approach on different types of data and ML models.

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    Version 1 of the repository for the Unbinding-MLTSA

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  3. TFM TFM Public

    Python Scripts crafted when I was preparing my Final Master's Degree Project

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    Online Repository for teaching material at the "Advanced Topics in Physical Chemistry and Computational Chemistry"

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