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MolecularGraph.jl

imported

therapeutics/moleculargraph

Graph-based molecule modeling toolkit for cheminformatics

Machine-generated from the listed sources and not yet reviewed by a human.

MolecularGraph.jl project image
GitHub preview card for mojaie/MolecularGraph.jl. Served by its origin, not stored here, and not covered by this registry’s licence.
record
Category
Therapeutics
Subcategory
unknown
License
MIT(osi)
Status
active
Maturity
deployed
Organization
unknown
Country
unknown
Homepage
unknown
Repository
github.com/mojaie/MolecularGraph.jl
Documentation
unknown
Tags
cheminformatics · chemistry · graph · julia · julia-language · mcs · molecular-modeling · molecule
Regulatory
unknown
built by · 6

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.

similar by tags

Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.

  • SMSDcheminformatics · chemistry · mcs

    SMSD — exact substructure & MCS search for chemical graphs.

  • MoleculeFlow.jlcheminformatics · chemistry · julia-language

    A Julia cheminformatics library

  • OpenBabel.jlcheminformatics · chemistry · julia-language

    Julia bindings to Open Babel

  • ALKYLcheminformatics · chemistry · molecular-modeling

    Claude Plugin for CompChem , Drug Discovery & Organic Chemistry reasoning

  • bayesian-flow-network-for-chemistrycheminformatics · chemistry · molecular-modeling

    ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.

  • jtnnencodercheminformatics · chemistry · molecular-modeling

    Pip installable version of the encoder portion of the Junction Tree Variational Autoencoder https://arxiv.org/abs/1802.04364,

sources
  1. api.github.com/repos/mojaie/MolecularGraph.jl
    retrieved 2026-08-05 · via github-api

    Machine-imported from GitHub search. Last push 2026-06-03, 225 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 →

machine-readable

/v1/entries/3.json→ .entries["moleculargraph"]

Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.