JMorado
Computational and Theoretical Chemist Research Software Engineer
University of EdinburghUnited Kingdom
Pinned Repositories
2023-02-28-noc_liverpool
Webpage for Software Carpentry on Feb 28th 2023
2023-03-15-training-online
Instructor Training repo.
al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
CUBElib
Python library to read, manipulate and visualize CUBE files.
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
An engine for electrostatic ML embedding for multiscale modelling.
NanoMC
NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.
openmm-ml
High level API for using machine learning models in OpenMM simulations
ParaMol
A Package for Parametrization of Molecular Mechanics Force Fields
JMorado's Repositories
JMorado/ParaMol
A Package for Parametrization of Molecular Mechanics Force Fields
JMorado/NanoMC
NanoMC is a software that simulates Lennard-Jones fluids inside nanotubes.
JMorado/CUBElib
Python library to read, manipulate and visualize CUBE files.
JMorado/openmm-ml
High level API for using machine learning models in OpenMM simulations
JMorado/2023-02-28-noc_liverpool
Webpage for Software Carpentry on Feb 28th 2023
JMorado/2023-03-15-training-online
Instructor Training repo.
JMorado/al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
JMorado/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
JMorado/emle-engine
An engine for electrostatic ML embedding for multiscale modelling.
JMorado/glosario
A multilingual glossary for computing and data science terms.
JMorado/hugo-cards
A bootstrap based minimal hugo theme based on webjeda-cards
JMorado/intake-catalogs
JMorado/jon-kerchunk-test
Experiments with Kerchunk, for reading NetCDF data over HTTPS through Zarr
JMorado/xarray
N-D labeled arrays and datasets in Python
JMorado/zarr-python
An implementation of chunked, compressed, N-dimensional arrays for Python.
JMorado/mlp-train
MLP training for molecular systems
JMorado/planets
JMorado/PyNEMO
PyNEMO: a Python based regional NEMO model configuration toolbox.