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followers: 10.0 following: 23.0 repos: 9.0 gists: 0.0

Name: Pedro J. Buigues

Type: User

Company: University College London

Bio: PhD in Computational Biophysics. Currently a PostDoc working between @CSML-IIT-UCL and the Atomistic Simulations group at the Italian Institute of Technology

Twitter: pedrojuanbj

Location: London

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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Pedro J. Buigues's Projects

achremd icon achremd

Atom-Charge Hamiltonian Replica Exchange Molecular Dynamics (ACHREMD) package

hmr3_unbinding icon hmr3_unbinding

Repository for the human Muscarinic 3 receptor (hMR3) ligand unbinding data and scripts.

kcl_teaching icon kcl_teaching

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

mltsa icon mltsa

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.

mltsa-v1 icon mltsa-v1

Version 1 of the repository for the Unbinding-MLTSA

tfm icon tfm

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

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