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João Morado's Projects

al-folio icon al-folio

A beautiful, simple, clean, and responsive Jekyll theme for academics

ase_ani icon ase_ani

ANI-1 neural net potential with python interface (ASE)

cubelib icon cubelib

Python library to read, manipulate and visualize CUBE files.

cw-ideas2 icon cw-ideas2

Originally a hack day project from CW21 on collating and analysing collaborative ideas and hack day projects from previous Collaborations Workshops. Contact @marioa

emle-engine icon emle-engine

An engine for electrostatic ML embedding for multiscale modelling.

glosario icon glosario

A multilingual glossary for computing and data science terms.

hugo-cards icon hugo-cards

A bootstrap based minimal hugo theme based on webjeda-cards

nanomc icon nanomc

NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.

openmm-ml icon openmm-ml

High level API for using machine learning models in OpenMM simulations

paramol icon paramol

A Package for Parametrization of Molecular Mechanics Force Fields

pynemo icon pynemo

PyNEMO: a Python based regional NEMO model configuration toolbox.

xarray icon xarray

N-D labeled arrays and datasets in Python

zarr-python icon zarr-python

An implementation of chunked, compressed, N-dimensional arrays for Python.

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