ShapePharm3D
importedtherapeutics/shapepharm3d
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…
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
- unknown
- Repository
- github.com/Islamomar-1/ShapePharm3D
- Documentation
- unknown
- Tags
- 3d-molecules · bioisostere · cheminformatics · computational-chemistry · deep-learning · diffusion-models · drug-discovery · e3nn · egnn · equivariant-neural-networks · generative-models · geometric-deep-learning · graph-neural-networks · molecular-design · molecular-generation · pharmacophore · pytorch · rdkit · scaffold-hopping · shape-based-design
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
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- 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/Islamomar-1/ShapePharm3Dretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2026-06-29, 3 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["shapepharm3d"]
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