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Molecule-RNN

imported

therapeutics/molecule-rnn

A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.

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

Molecule-RNN project image
GitHub preview card for shiwentao00/Molecule-RNN. Served by its origin, not stored here, and not covered by this registry’s licence.
record
Category
Therapeutics
Subcategory
unknown
License
MIT(osi)
Status
dormant
Maturity
deployed
Organization
unknown
Country
unknown
Homepage
unknown
Documentation
unknown
Tags
cheminformatics · de-novo-drug-design · deep-learning · drug-discovery · generative-model · molecule · recurrent-neural-network · rnn · smiles
Regulatory
unknown
similar by tags

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    Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and MOSES-style metrics.

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    Draw molecules with plotly!

  • DrugExcheminformatics · de-novo-drug-design · drug-discovery

    De Novo Drug Design with RNNs and Transformers

  • jungle-of-generative-drug-discoverycheminformatics · de-novo-drug-design · drug-discovery

    The official codebase of the paper "The Jungle of Generative Drug Discovery: Traps, Treasures, and Ways Out""

  • PCMolcheminformatics · de-novo-drug-design · drug-discovery

    Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.

sources
  1. api.github.com/repos/shiwentao00/Molecule-RNN
    retrieved 2026-08-25 · via github-api

    Machine-imported from GitHub search. Last push 2022-05-04, 11 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/42.json→ .entries["molecule-rnn"]

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