aqme
importedtherapeutics/aqme
Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer…
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- active
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/jvalegre/aqme
- Documentation
- unknown
- Tags
- automation · cheminformatics · jupyter-notebooks · python · quantum-chemistry · reproducibility · workflows
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- robertautomation · cheminformatics · reproducibility · workflows
Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Chemistry studies with only one command line.
- aqmlcheminformatics · quantum-chemistry
Amons-based quantum machine learning for quantum chemistry
- AutoChemcheminformatics · quantum-chemistry
Virtual Chemical Reactor and scripts for automated quantum chemistry calculations
- cmilescheminformatics · quantum-chemistry
Generate canonical molecule identifiers for quantum chemistry database
- psikitcheminformatics · quantum-chemistry
psi4+RDKit
- pySiRCcheminformatics · quantum-chemistry
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
- api.github.com/repos/jvalegre/aqmeretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-07-07, 132 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/1.json→ .entries["aqme"]
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