Pinned Repositories
2dpotentials
Repository containing python object to do numerical experiemnts on various simple 2D potentials
aseams
chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
flare
An open-source Python package for creating fast and accurate interatomic potentials.
grid
Python Library for Numerical Molecular Integration.
iodata
HORTON module for I/O with different file formats
LinearResponse
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
thomaspigeon.github.io
iodata
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
thomaspigeon's Repositories
thomaspigeon/aseams
thomaspigeon/2dpotentials
Repository containing python object to do numerical experiemnts on various simple 2D potentials
thomaspigeon/thomaspigeon.github.io
thomaspigeon/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
thomaspigeon/flare
An open-source Python package for creating fast and accurate interatomic potentials.
thomaspigeon/LinearResponse
thomaspigeon/chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
thomaspigeon/iodata
HORTON module for I/O with different file formats
thomaspigeon/grid
Python Library for Numerical Molecular Integration.