Pocket2Drug
importedtherapeutics/pocket2drug
Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Repository
- github.com/shiwentao00/Pocket2Drug
- Documentation
- unknown
- Tags
- bioinformatics · deep-learning · drug-discovery · generative-model · graph-neural-network · ligand-binding-site · protein · pytorch
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- Graphsitebioinformatics · graph-neural-network · protein
Generate graph representations of protein binding sites.
- PiLSLbioinformatics · drug-discovery · graph-neural-network
PiLSL is a pairwise interaction learning-based graph neural network (GNN) model for prediction of synthetic lethality (SL) as anti-cancer drug targets. It learns the representation of pairwise…
- gflownetdrug-discovery · generative-model · pytorch
A PyTorch implementation of a Generative Flow Network (GFlowNet) proposed by Bengio et al. (2021)
- molgendrug-discovery · generative-model · pytorch
Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and MOSES-style metrics.
- Posebioinformatics · drug-discovery · protein
A bare-metal Python library for building and manipulating the molecular structures of proteins, nucleic acids, and small organic molecules
- biomedgpsdrug-discovery · graph-neural-network
A knowledge graph system with graph neural network for drug repurposing and disease mechanism.
- api.github.com/repos/shiwentao00/Pocket2Drugretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2022-05-19, 22 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/57.json→ .entries["pocket2drug"]
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