Ecosyste.ms: Packages
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conda-forge.org : cmiles-base
Generate canonical molecule identifiers for quantum chemistry database
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Source
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purl: pkg:conda/cmiles-base
Keywords: cheminformatics, database, forcefield, forcefield-parameterization, quantum-chemistry
License: MIT
Latest release: over 3 years ago
First release: over 3 years ago
Dependent packages: 3
Stars: 23 on GitHub
Forks: 7 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 25 days ago
openff-recharge 0.4.0
A framework for generating partial charges for molecules from QC data.17 versions - Latest release: over 1 year ago - 2 dependent repositories - 15 stars on GitHub
openff-evaluator-base 0.4.0
A physical property evaluation toolkit from the Open Forcefield Consortium.6 versions - Latest release: over 1 year ago - 1 dependent package - 30 stars on GitHub
cmiles 0.1.6
Generate canonical molecule identifiers for quantum chemistry database2 versions - Latest release: over 3 years ago - 1 dependent package - 1 dependent repositories - 23 stars on GitHub