Ecosyste.ms: Packages
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Top 9.0% dependent packages on conda-forge.org
conda-forge.org : qcengine
Quantum chemistry program executor and IO standardizer (QCSchema).
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purl: pkg:conda/qcengine
Keywords: chemistry, computational-chemistry, python3, quantum-chemistry, standards
License: BSD-3-Clause
Latest release: over 1 year ago
First release: almost 6 years ago
Dependent packages: 6
Dependent repositories: 9
Stars: 128 on GitHub
Forks: 70 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 17 days ago
openff-toolkit-examples 0.11.4
The Open Force Field Toolkit, built by the Open Force Field Initiative, is a Python toolkit for t...12 versions - Latest release: over 1 year ago - 232 stars on GitHub
optking 0.2.0
optking: A Python version of the PSI4 geometry optimization program by R.A. King2 versions - Latest release: over 1 year ago - 15 stars on GitHub
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
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
qcfractal 0.15.7
A distributed compute and database platform for quantum chemistry.28 versions - Latest release: over 2 years ago - 1 dependent package - 4 dependent repositories - 120 stars on GitHub
qcfractal-core 0.15.7
A distributed compute and database platform for quantum chemistry.14 versions - Latest release: over 2 years ago - 2 dependent packages - 120 stars on GitHub