molgen
importedtherapeutics/molgen
Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and MOSES-style metrics.
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
- pypi.org/project/molgen/
- Repository
- github.com/DaoyuanLi2816/molgen
- Documentation
- unknown
- Tags
- ai4science · cheminformatics · chemistry · deep-learning · drug-discovery · generative-model · molecular-generation · molgpt · pytorch · rdkit · selfies · smiles · transformer · vae
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- Rxitectdrug-discovery · generative-model · selfies · smiles · transformer
A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SELFIES guided by modern retrosynthesis tools to increase…
- molecular-string-renderercheminformatics · chemistry · rdkit · selfies · smiles
A python utility for rendering 2D molecular graph images given a string representation (SMILES, SELFIES)
- ShapePharm3Dcheminformatics · drug-discovery · molecular-generation · pytorch · rdkit
3D pharmacophore-conditioned molecular diffusion with an E(3)-equivariant EGNN backbone. Generates shape-complementary, drug-like molecules conditioned on pharmacophore point clouds and PMI/SSD…
- ALKYLcheminformatics · chemistry · drug-discovery · rdkit · smiles
Claude Plugin for CompChem , Drug Discovery & Organic Chemistry reasoning
- chematiccheminformatics · chemistry · drug-discovery · rdkit · smiles
A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
- hedgehogcheminformatics · drug-discovery · molecular-generation · rdkit
Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.
- api.github.com/repos/DaoyuanLi2816/molgenretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2026-07-11, 15 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/23.json→ .entries["molgen"]
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