Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org : geometric
Geometry optimization code that includes the TRIC coordinate system
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purl: pkg:conda/geometric
Keywords: optimization, quantum-chemistry
License: MIT
Latest release: about 5 years ago
First release: almost 6 years ago
Dependent packages: 4
Dependent repositories: 4
Stars: 81 on GitHub
Forks: 52 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: about 9 hours ago
openff-bespokefit 0.1.2
Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.3 versions - Latest release: about 2 years ago - 1 dependent repositories - 34 stars on GitHub
psiresp 0.4.2
PsiRESP is a package for calculating atomic partial charges from restrained and unrestrained elec...5 versions - Latest release: about 2 years ago - 16 stars on GitHub
qubekit 2.1.1
QUBEKit is a Python based force field parameter derivation toolkit. Our aims are to allow users t...3 versions - Latest release: over 2 years ago - 76 stars on GitHub
torsiondrive 1.1.0
Dihedral scanner with wavefront propagation7 versions - Latest release: over 2 years ago - 2 dependent packages - 1 dependent repositories - 27 stars on GitHub