11 dependents
Package Description Downloads/month
quacc is a flexible platform for computational materials science and quantum che... 474K
atomate2 is a library of computational materials science workflows 63K
DP-GEN: The deep potential generator 996
Domain-specific languages and supporting tools for scientific computing 852
A modification to the Custodian class in custodian (github.com/materialsproject/... 689
The atomate2-turbomole package is a workflow package for Turbomole 355
High throughput analysis of interfaces using VASP and Materials Project tools 345
Calculate surface energies of arbitrary crystals. 267
Framework for high-throughput calculations with ABINIT 259
Python interface to the SISSO (Sure Independence Screening and Sparsifying Opera... 149
mkite_vasp is a plugin to execute VASP calculations using mkite 147