Yuji Ikeda's repositories
ph_plotter
Plotting Tools for Phonon Band Structures
concentration_converter
Convert concentrations from/to atomic/weight percent
conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
Elastic
A module for ASE for elastic constants calculation.
elpa-feedstock
A conda-smithy repository for elpa.
lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
matplotlib
matplotlib: plotting with Python
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
sfepy-feedstock
A conda-smithy repository for sfepy.
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
TensorPotential
TensorFlow based interface for ML potentials development, fitting and evaluation
torchani
Accurate Neural Network Potential on PyTorch