11 projects
aims-chain
A package for finding minimum energy path and transition state.
pymatgen-io-aims
pymatgen-io-aims is a pymatgen addon that bridges the gap between FHI-aims and the pymatgen ecosystem
pyfhiaims
An FHI-aims official Python package
ase-io-aims
ase-io-aims is an ase plugin that bridges the gap between FHI-aims and the ase ecosystem
aiida-crystal-dft
Yet another AiiDA plugin for CRYSTAL code, mainly intended for use with the MPDS online ecosystem
clims
Command-Line Interface for Materials Simulations
pycrystal
Utilities for ab initio modeling suite CRYSTAL
yascheduler
Yet another computing scheduler and cloud orchestration engine
pyfactxx
Python bindings to FaCT++ reasoner
mpds-client
MPDS platform API client
quantum-esperanto
A fast parser of XML files output by VASP DFT code written in Cython.
