Pinned Repositories
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
albapa's Repositories
albapa/fitpot
albapa/Jagla
albapa/AtomEye
Modified fork of Ju Li's atomistic configuration viewer (http://li.mit.edu/Archive/Graphics/A/)
albapa/castep-docs
albapa/castepxbin
Reading binary files generated by CASTEP in Python
albapa/DPD
Repository for the FutureLearn MOOC "Defensive programming and debugging"
albapa/GAP
albapa/glosim
A Python package to compute similarities between molecules and structures
albapa/grav-plugin-form
Grav Form Plugin
albapa/lammps
Development project of the LAMMPS MD software package
albapa/LC20
albapa/orientation
Nearly Optimal Coverings of Orientation Space
albapa/pytorch_cluster
PyTorch Extension Library of Optimized Graph Cluster Algorithms
albapa/pytorch_scatter
PyTorch Extension Library of Optimized Scatter Operations
albapa/pyXC
short wrapper in python to allow calculation of XC energy density for GGA and LDA functionals using libxc
albapa/QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
albapa/SilviaAuth
Card access with Arduino
albapa/ulti
5 lapos ulti
albapa/WQRM