Ecosyste.ms: Packages

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

pypi.org "conformational sampling" keyword

aqme 1.5.2

Automated Quantum Mechanical Environments
17 versions - Latest release: 7 months ago - 1 dependent package - 1 dependent repositories - 250 downloads last month - 88 stars on GitHub - 1 maintainer

Related Keywords

workflows 1 computational chemistry 1 cheminformatics 1 quantum mechanics 1 DFT 1 automated 1 automation 1 jupyter-notebooks 1 python 1 quantum-chemistry 1 reproducibility 1