francescalb

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Pinned Repositories

BattINFO
A Battery Interface Ontology based on EMMO
Language:Jupyter Notebook36 8 499
CIF-ontology
Basic crystallography domain ontology based on EMMO and the CIF core dictionary.
Language:Python9 8 424
EMMO
Elementary Multiperspective Material Ontology (EMMO)
Language:Python63 14 12015
EMMOntoPy
Library for representing and working with ontologies in Python
Language:Python40 4 2508
aiida-nwchem
AiiDA plugin for NWChem
Language:Python00
micki
Object-oriented microkinetic modeling package using ASE
Language:Python0 0 00
pMuTT
Python Multiscale Thermochemistry Toolbox (pMuTT)
Language:Python0 0 00
PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Language:Python00
tripper
Triplestore wrapper package for Python.
Language:Python0 0 00
dlite
DLite - a lightweight data-centric framework for semantic interoperability
Language:C29 5 3215

francescalb's Repositories

francescalb/aiida-nwchem
AiiDA plugin for NWChem
Language:Python00
francescalb/micki
Object-oriented microkinetic modeling package using ASE
Language:Python0 0 00
francescalb/pMuTT
Python Multiscale Thermochemistry Toolbox (pMuTT)
Language:Python0 0 00
francescalb/PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Language:Python00
francescalb/tripper
Triplestore wrapper package for Python.
Language:Python0 0 00