Pinned Repositories
aiida-crystal-dft
AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
awesome-materials-informatics
Curated list of known efforts in materials informatics
BioHack2019
BioHack2019 Project
Cataclysm
A post-apocalyptic roguelike.
CosmOrc
EZFF2
Python-based library for easy force-field fitting
HelSymG
Helical structures calculation automatization
moffopt
mpds-aiida
Automated computational workflows based on the MPDS data platform using the CRYSTAL first-principles engine
mpds-client
MPDS API client library in Python
akvatol's Repositories
akvatol/BioHack2019
BioHack2019 Project
akvatol/aiida-crystal-dft
AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
akvatol/awesome-materials-informatics
Curated list of known efforts in materials informatics
akvatol/Cataclysm
A post-apocalyptic roguelike.
akvatol/CosmOrc
akvatol/EZFF2
Python-based library for easy force-field fitting
akvatol/HelSymG
Helical structures calculation automatization
akvatol/moffopt
akvatol/mpds-aiida
Automated computational workflows based on the MPDS data platform using the CRYSTAL first-principles engine
akvatol/mpds-client
MPDS API client library in Python
akvatol/notebook-molecular-visualization
2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js
akvatol/QuickFF
A Python code to quickly derive ab initio parameterized force fields.
akvatol/yascheduler
Yet another cloud computing scheduler for the high-throughput cloud scientific simulations