Ecosyste.ms: Packages

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

pypi.org "ORCA" keyword

pyconsolv 1.0.6
A package for conformer generation of transition-metal-containing complexes
19 versions - Latest release: 4 months ago - 186 downloads last month - 16 stars on GitHub - 1 maintainer
vieworca 0.2.1
This program is designed to allow the user to inspect calculations from ORCA. This is to be used ...
3 versions - Latest release: 18 days ago - 310 downloads last month - 0 stars on GitHub - 1 maintainer
mcpoly 0.6.1
Useful tools for Computational Chemistry for polymers
21 versions - Latest release: 8 months ago - 204 downloads last month - 0 stars on GitHub - 1 maintainer
Related Keywords
AmberTools 1 Conformer 1 Explicit Solvent 1 Generator 1 MCPB 1 Parametrization 1 PyConSolv 1 Simulation 1 Solvation 1 Transition metals 1 computational-chemistry 1 DFT 1 atomic-simulation-environment 1 Mechanical Property 1 Computational Chemistry 1