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An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

pypi.org "Materials Simulation" keyword

kplib 1.1.1
Library for generating highly-efficient generalized Monkhorst-Pack K-point grids to accelerate el...
5 versions - Latest release: over 3 years ago - 1 dependent repositories - 36 downloads last month - 10 stars on gitlab.com - 2 maintainers
pymatflow 0.1.1a4
An emulation assistant, input generation and manage for DFT programs
1 version - Latest release: over 4 years ago - 1 dependent repositories - 26 downloads last month - 3 stars on gitlab.com - 1 maintainer
masgent 1.1.19
Masgent: Materials Simulation Agent
72 versions - Latest release: 10 months ago - 79 downloads last month - 10 stars on GitHub - 1 maintainer
Related Keywords
DFT 2 Density Functional Theory 2 Ab intio 1 workflow 1 input generation 1 Automated simulation workflow 1 AI agent 1 Machine Learning Potentials 1 Machine Learning 1 Computational Materials Science 1 Electronic Structure 1 K-points 1 kpoint 1 VASP 1 Crystal 1