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CUDA · K-Dense-AI/scientific-agent-skills

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1

Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity.

K-Dense-AI/scientific-agent-skills48k1 repo~3kAutomated safety check: NotesMIT6 days ago
2

GPU-accelerates scientific Python on NVIDIA hardware and verifies that the result is correct and faster.

K-Dense-AI/scientific-agent-skills48k1 repo~3.4kAutomated safety check: PassMIT6 days ago
3

Builds and troubleshoots TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and…

K-Dense-AI/scientific-agent-skills48k1 repo~3kAutomated safety check: NotesApache-2.06 days ago