This page is for DiffDock, version 2.0.1.
For other versions, use one of these documentation indexes:
- 2.3.0 (Latest) (default): https://docs.nvidia.com/nim/bionemo/diffdock/2.3.0/llms.txt
- 2.2.0: https://docs.nvidia.com/nim/bionemo/diffdock/2.2.0/llms.txt
- 2.1.0: https://docs.nvidia.com/nim/bionemo/diffdock/2.1.0/llms.txt
- 2.0.1: https://docs.nvidia.com/nim/bionemo/diffdock/2.0.1/llms.txt
- 1.2.0: https://docs.nvidia.com/nim/bionemo/diffdock/1.2.0/llms.txt
Release 1.2.0
Summary
- Added text file support with multi-line SMILES content as the ligand input for batch-docking.
- Added timeout support and batch-docking safe-termination.
- Enhanced performance by adaptive (memory-safe) batch-sampling.
- Integrated cuEquivariance library.
