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You can run molecular docking and quantum chemistry computations by submitting jobs through a cloud API, eliminating the need for local software setup. Submit single or batch workflows programmatically and poll for structured computation results.

Yes, you can predict pKa and related molecular properties like solubility and ADMET-Tox directly from SMILES strings or RDKit molecules. This streamlines lead prioritization by returning structured property prediction results via API.

Automate protein-ligand docking and AI cofolding by submitting Python API calls to predict binding poses with AutoDock Vina and model complexes using Chai-1 or Boltz models. The cloud API handles job submission, status polling, and result retrieval.

Yes, API-key authentication is required to submit conformer search and geometry optimization jobs. Configure your API key to generate 3D conformer ensembles and optimize structures through cloud workflow submission.

Manage batch workflows for structure-based drug discovery by submitting multiple computation jobs programmatically through the cloud API. Monitor job status, organize projects into folders, and fetch structured outputs suitable for medicinal chemistry automation.

Yes, the workflow supports RDKit integration for molecular property prediction. You can pass RDKit molecules directly into pKa estimation, conformer generation, and geometry optimization pipelines via Python API calls.