aqml

Category

Therapeutics

Subcategory

unknown

License

MIT(osi)

Status

maintained

Maturity

deployed

Organization

unknown

Country

unknown

Homepage

unknown

Repository

github.com/binghuang2018/aqml

Documentation

unknown

Tags

active-learning · cheminformatics · kernel-ridge-regression · machine-learning · molecular-representation · multi-fidelity-krr · quantum-chemistry · training-set-selection

Regulatory

unknown

• binghuang2018

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.

• aqmecheminformatics · quantum-chemistry

  Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer…

• cmilescheminformatics · quantum-chemistry

  Generate canonical molecule identifiers for quantum chemistry database

• psikitcheminformatics · quantum-chemistry

  psi4+RDKit

• qmllibcheminformatics · quantum-chemistry

  Quantum machine learning (QML) molecular representations and core functions

• bofireactive-learning · cheminformatics

  Experimental design and (multi-objective) bayesian optimization.

• deepchemquantum-chemistry

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

1. api.github.com/repos/binghuang2018/aqml
   retrieved 2026-08-05 · via github-api

   Machine-imported from GitHub search. Last push 2025-11-04, 26 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.

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/v1/entries/22.json→ .entries["aqml"]

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