GNNs-For-Chemists
importedtherapeutics/gnns-for-chemists
Implementations of different GNNs from scratch for chemists
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/HFooladi/GNNs-For-Chemists
- Documentation
- unknown
- Tags
- cheminformatics · computational-chemistry · gnn · graph-neural-network · message-passing
- 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.
- scDeepSortgnn · graph-neural-network
Cell-type Annotation for Single-cell Transcriptomics using Deep Learning with a Weighted Graph Neural Network
- PDNcheminformatics · gnn
The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)
- AI4PFAScheminformatics · gnn
Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"
- scGNNgraph-neural-network
scGNN (single cell graph neural networks) for single cell clustering and imputation using graph neural networks
- Bentocheminformatics · computational-chemistry
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- CDPKitcheminformatics · computational-chemistry
The Chemical Data Processing Toolkit
- api.github.com/repos/HFooladi/GNNs-For-Chemistsretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-05-14, 175 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/44.json→ .entries["gnns-for-chemists"]
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