jeiros

MDRun

Python tool to submit several PBS jobs on the HPC

MD-GAN

BP-Hack

BP Imperial Hackathon

Scripts

Compilation of different scripts used for my MD analysis

grafos-uoc

whatsappy

Analyze whatsapp log files! WIP: Add a web server functionality

advent-of-code-2017

🎄 code in 🐍

agario-turinglab

analysis-pipeline

aoc-2019

https://adventofcode.com/2019

arepo

dss-plugin-census-us

dss-plugin-model-drift

Model drift detection

Haskell-Tutorial

Learning Haskell from http://learnyouahaskell.com/chapters

htmd

High throughput molecular dynamics simulations

jeiros.github.io

Jupyter_notebooks

Collection of notebooks for data analysis/visualization

mdanalysis-1

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

msmadapter

Automating adaptive sampling for Amber and msmbuilder

msmbuilder

Statistical models for biomolecular dynamics

msmexplorer

Data visualizations for biomolecular dynamics

osprey

Hyperparameter optimization for machine learning pipelines

phd_thesis_markdown

Template for writing a PhD thesis in Markdown

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

python-novice-inflammation

Software Carpentry introduction to Python for novices using inflammation data.

restrict-imports

SudokuSolver

Solve any sudoku

torch-rnn

Efficient, reusable RNNs and LSTMs for torch

uoc-rc-2024

vde

Variational Autoencoder for Dimensionality Reduction of Time-Series