molgraph
importedtherapeutics/molgraph
Graph neural networks for molecular machine learning: Implemented and compatible with TensorFlow and Keras.
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
- Repository
- github.com/akensert/molgraph
- Documentation
- unknown
- Tags
- bioinformatics · cheminformatics · computational-biology · computational-chemistry · deep-learning · graph-neural-networks · graphs · keras
- 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.
- vitabioinformatics · cheminformatics · computational-biology · computational-chemistry
Atomistic and molecular life sciences in Rust.
- FlowMolcomputational-biology · computational-chemistry · graph-neural-networks
Mixed continous/categorical flow-matching model for de novo molecule generation.
- mod-qsarcomputational-biology · computational-chemistry · keras
A modular inverse QSAR pipeline
- ShapePharm3Dcheminformatics · computational-chemistry · graph-neural-networks
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…
- grapheinbioinformatics · computational-biology · graph-neural-networks
Protein Graph Library
- ConcensusPharmacophorecheminformatics · computational-biology · computational-chemistry
Consensus pharmacophore for Drug Design
- api.github.com/repos/akensert/molgraphretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-03-09, 65 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/9.json→ .entries["molgraph"]
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