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PyTorch-native Graph Neural Network framework for molecules and proteins. Suitable for building custom GNN architectures for drug discovery, protein modeling, or knowledge graph reasoning. Best for custom model development, protein property prediction, and retrosynthesis. If you need pretrained m...
- `alphafold-database` - Protein structure prediction
Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
Agent skill for Researcher, ML / AI Engineer, Data Scientist, published by FridrichMethod. Project details and file access are provided by the publisher.
Agent skill for Data Scientist, ML / AI Engineer, Researcher, published by majiayu000. Project details and file access are provided by the publisher.
Agent skill for ML / AI Engineer, Data Scientist, Researcher, published by ComeOnOliver. Project details and file access are provided by the publisher.
Agent skill for Data Scientist, ML / AI Engineer, Researcher, published by boisenoise. Project details and file access are provided by the publisher.
Agent skill for Researcher, Data Scientist, Product Manager, published by BioTender-max. Project details and file access are provided by the publisher.
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