Build custom GNN architectures for molecular and protein science tasks.
npx skills add https://github.com/tassiovale/claude-code-kit --skill torchdrug-tassiovale
Please help me install this Agent Skill. Skill: torchdrug Source: https://github.com/tassiovale/claude-code-kit/tree/main/skills/torchdrug Command: npx skills add https://github.com/tassiovale/claude-code-kit --skill torchdrug-tassiovale
This Skill helps users build and deploy custom graph neural network (GNN) architectures for various molecular and protein science tasks, such as drug discovery, protein modeling, and knowledge graph reasoning.
Run the following command to install TorchDrug and its dependencies:
pip install torchdrug
High-intent search queries and answers about installing and using this skill.
You build custom graph neural networks for molecular property prediction using architectures like GIN, GAT, and SchNet. This Skill provides the necessary components to train models that predict chemical, physical, and biological properties directly from molecular structures.
Yes, you can use PyTorch to model protein sequences, structures, and properties for function prediction. The Skill employs graph neural networks to handle protein modeling tasks, leveraging PyTorch and associated GNN libraries for training.
Yes, this Skill supports knowledge graph reasoning by predicting missing links and relationships in biological knowledge graphs. It applies custom graph neural network architectures to infer connections within complex molecular and biological datasets.
The best way to predict drug candidate binding affinity is by building a custom graph neural network model. This Skill enables researchers to design and train GNN architectures specifically for predicting interactions between drug candidates and their target proteins.
Yes, you need PyTorch along with torch-scatter and torch-cluster installed. These GNN-related libraries provide the underlying tensor operations and graph aggregation functions required to build and train the custom molecular and protein models.
RamanEbrahimiBuild and train Graph Neural Networks with PyTorch Geometric.
Yezez9Develop custom GNN architectures for molecular and protein data analysis with PyTorch.
jaechang-hitsParse FASTA, GenBank, and PDB files with Biopython for sequence analysis.
biomaps-infraTrains and applies DeepChem machine learning models for molecular property prediction.