torchdrug
Builds and troubleshoots TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and knowledge graph reasoning. Use when code imports torchdrug or needs its datasets, models, tasks, or Engine.
- Version
- 1.4
- License
- Apache-2.0 license
- Compatibility
- Requires Python 3.7-3.10, PyTorch 1.8-2.0, compatible torch-scatter/torch-cluster, RDKit, and fair-esm. Apple Silicon is CPU-only and requires native builds; MPS is unsupported. Network access is needed for uncached datasets and weights.
Pinned to revision 68105dd992f1, so it is the text this page describes rather than whatever the author pushed since.
Pre-approved tools experimental
Experimental field. Support varies between clients, so this list is what the author declared, not what your client will enforce.
- Read
- Write
- Edit
- Bash
Files
- skills/torchdrug/SKILL.md
- skills/torchdrug/SKILL_CN.md
- skills/torchdrug/references/core_concepts.md
- skills/torchdrug/references/datasets.md
- skills/torchdrug/references/knowledge_graphs.md
- skills/torchdrug/references/models_architectures.md
- skills/torchdrug/references/molecular_generation.md
- skills/torchdrug/references/molecular_property_prediction.md
- skills/torchdrug/references/protein_modeling.md
- skills/torchdrug/references/retrosynthesis.md
- skills/torchdrug/references/review.md
Every link opens the file at its source, pinned to the revision this page describes.