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GitHub / qubekit / QUBEKit
Quantum Mechanical Bespoke Force Field Derivation Toolkit
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/qubekit%2FQUBEKit
Stars: 91
Forks: 28
Open Issues: 31
License: mit
Language: Python
Repo Size: 6.73 MB
Dependencies:
17
Created: about 5 years ago
Updated: about 1 month ago
Last pushed: 4 months ago
Last synced: 26 minutes ago
Commit Stats
Commits: 559
Authors: 10
Mean commits per author: 55.9
Development Distribution Score: 0.676
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/qubekit/QUBEKit
Topics: bioinformatics, computational-chemistry, quantum-chemistry
Files
Dependencies
- matplotlib *
- networkx *
- numpy *
- qcelemental *
- qcengine *
- rdkit *
- scipy *
- torsiondrive *
- actions/checkout v2 composite
- codecov/codecov-action v1 composite
- conda-incubator/setup-miniconda v2.1.1 composite
- actions/checkout v2 composite
- actions/setup-python v1 composite
- actions/checkout v3 composite
- github/codeql-action/analyze v2 composite
- github/codeql-action/autobuild v2 composite
- github/codeql-action/init v2 composite