graphein
importedtherapeutics/graphein
Protein Graph Library
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
- graphein.ai/
- Repository
- github.com/a-r-j/graphein
- Documentation
- unknown
- Tags
- bioinformatics · computational-biology · deep-learning · dgl · drug-discovery · gene-regulatory-networks · geometric-deep-learning · graph-neural-networks
- 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.
- dgl-lifescibioinformatics · dgl · drug-discovery · geometric-deep-learning · graph-neural-networks
Python package for graph neural networks in chemistry and biology
- MXMNetcomputational-biology · drug-discovery · geometric-deep-learning · graph-neural-networks
Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures" (NeurIPS 2020 Workshop)
- DeNSdrug-discovery · geometric-deep-learning · graph-neural-networks
[TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
- PDGrapherdrug-discovery · geometric-deep-learning · graph-neural-networks
Combinatorial prediction of therapeutic perturbations using causally-inspired neural networks
- ShapePharm3Ddrug-discovery · geometric-deep-learning · 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…
- TxGNNdrug-discovery · geometric-deep-learning · graph-neural-networks
TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design
- api.github.com/repos/a-r-j/grapheinretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-07-13, 1186 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/41.json→ .entries["graphein"]
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