albapa Goto Github PK
Type: User
albapa's Projects
atomeye
Modified fork of Ju Li's atomistic configuration viewer (http://li.mit.edu/Archive/Graphics/A/)
castep-docs
castepxbin
Reading binary files generated by CASTEP in Python
dpd
Repository for the FutureLearn MOOC "Defensive programming and debugging"
fitpot
gap
glosim
A Python package to compute similarities between molecules and structures
grav-plugin-form
Grav Form Plugin
jagla
lammps
Development project of the LAMMPS MD software package
lc20
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
orientation
Nearly Optimal Coverings of Orientation Space
pytorch_cluster
PyTorch Extension Library of Optimized Graph Cluster Algorithms
pytorch_scatter
PyTorch Extension Library of Optimized Scatter Operations
pyxc
short wrapper in python to allow calculation of XC energy density for GGA and LDA functionals using libxc
quip
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
silviaauth
Card access with Arduino
ulti
5 lapos ulti
webplotdigitizer
Computer vision assisted tool to extract numerical data from plot images.
wqrm
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