11 projects
httk2
The high-throughput toolkit (httk₂) is a modular Python toolkit for materials science. The httk2 metapackage installs the standard components of httk₂.
httk-workflow
Filesystem-native workflow execution for httk₂.
httk-analyse
Analysis algorithms for httk₂, with generic lower-convex-hull construction and materials-science phase diagrams.
httk-serve
HTTP, web, DSP, and OPTIMADE serving tooling for httk₂
httk-atomistic
httk₂ module for atomistic structures, their representations, and file I/O (CIF/mCIF, VASP, trajectories).
httk-store
httk₂ module for data management: entry providers, property-definition validation, and database storage.
httk-core
httk₂ core functionality
crysviz
Browser-based crystal structure visualisation and analysis
httk
The high-thoughput toolkit: workflow, project management, storage, and data analysis for large-scale computational projects
