mgt16-LANL

Scientist at Los Alamos National Laboratory interested in computational chemistry and materials (T1)

Los Alamos National LaboratoryLos Alamos NM

Pinned Repositories

FitSNAP
Software for generating SNAP machine-learning interatomic potentials
Language:Python142 7 6852
Architector
The architector python package - for 3D metal complex design. C22085
Language:Python36 3 106
hippynn
python library for atomistic machine learning
Language:Python65 9 1523
architector-feedstock
A conda-smithy repository for architector.
00
FitSNAP
Software for generating SNAP machine-learning interatomic potentials
Language:Python00
hippynn
python library for atomistic machine learning
Language:Python00
pyiron_contrib
User developments on fitsnap
Language:Python00
pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
Language:Python00
tblite
Light-weight tight-binding framework
Language:Fortran90 6 8634
sella
A Python software package for saddle point optimization and minimization of atomic systems.
Language:Python64 10 2819

mgt16-LANL's Repositories

mgt16-LANL/architector-feedstock
A conda-smithy repository for architector.
00
mgt16-LANL/FitSNAP
Software for generating SNAP machine-learning interatomic potentials
Language:Python00
mgt16-LANL/hippynn
python library for atomistic machine learning
Language:Python00
mgt16-LANL/pyiron_contrib
User developments on fitsnap
Language:Python00
mgt16-LANL/pysqa
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
Language:Python00