Skill UI

Cloud-native Rowan orchestrates medicinal chemistry and molecular modeling pipelines via a Python API, offering pKa prediction, docking, descriptors, dynamics, and AI-driven structure workflows for scalable batch screening without local HPC.

Query UCSF’s ZINC22 repository of 230M+ purchasable compounds via the web UI or CartBlanche APIs to fetch IDs/SMILES, run similarity, supplier, or random sampling, and assemble docking-ready libraries for virtual screening.

Predicts protein-small-molecule binding poses with DiffDock and DiffDock-L using PDB or sequence plus SMILES/SDF/MOL2, supporting batch docking, pose triage, and confidence interpretation.

Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. It enables pKa prediction, molecular docking, conformer search, and protein-ligand cofolding without local HPC infrastructure. Ideal for batch screening and multi-step chemistry pipelines in drug discovery.

Run open-source molecular design and structural biology tools on Tamarind Bio's managed cloud GPUs via REST API or MCP. Covers AlphaFold/Boltz/Chai structure prediction, RFdiffusion and ProteinMPNN design, antibody and nanobody engineering, DiffDock docking, binding affinity, MSA generation, and molecular dynamics — no local GPU setup needed.

Build advanced procedural animation in Three.js for launches, gravity turns, staging, docking, spin alignment, spring-follow motion, debris, and quaternion control with frame-rate-independent updates.