pablo-unzueta

Postdoc at Stanford interested in all things machine learning

Pinned Repositories

aPIP
Language:Jupyter Notebook00
CGAT
Crystal graph attention neural networks for materials prediction
Language:Python00
cif2cell
cif2cell compatible with Python 3+
Language:Python00
density-mbe
Code for density-based many body expansion
Language:Python0 1 00
dev-cont-test
Language:Python00
dml-nmr
dml-nmr, python scripts for nuclear magnetic resonance machine learning
Language:Python40
enn-playground
implementation of enn's for learning purposes
Language:Python00
faster_aims
Language:Roff00
fragit-tc
Language:Python00
mdl-dimenet
Language:Python00

pablo-unzueta's Repositories

pablo-unzueta/dml-nmr
dml-nmr, python scripts for nuclear magnetic resonance machine learning
Language:Python40
pablo-unzueta/aPIP
Language:Jupyter Notebook00
pablo-unzueta/CGAT
Crystal graph attention neural networks for materials prediction
Language:Python00
pablo-unzueta/cif2cell
cif2cell compatible with Python 3+
Language:Python00
pablo-unzueta/density-mbe
Code for density-based many body expansion
Language:Python0 1 00
pablo-unzueta/dev-cont-test
Language:Python00
pablo-unzueta/enn-playground
implementation of enn's for learning purposes
Language:Python00
pablo-unzueta/faster_aims
Language:Roff00
pablo-unzueta/fragit-tc
Language:Python00
pablo-unzueta/mdl-dimenet
Language:Python00
pablo-unzueta/ocp
https://opencatalystproject.org/
pablo-unzueta/old-mdl-nmr-example
example NN code for PD
Language:Python
pablo-unzueta/pytcpb-scripts
Language:Python
pablo-unzueta/sd-playground
Language:Jupyter Notebook1 0
pablo-unzueta/target
TARGET - Torch AIMS Reimplementation for General Electronic sTructure packages
Language:Python1 0
pablo-unzueta/umbrella-sampling
Language:Jupyter Notebook
pablo-unzueta/workflows
personalized github action workflows