@sciminer

ready-tools-on-sciminer discovers and invokes arbitrary sciminer tools by resolving their published api docs, extracting exact payload schemas, and polling for results with shareable output links.

small-molecule-design orchestrates four computational chemistry tools (reinvent4, pocketxmol, fpocket, gnina score) through sciminer, routing between structure-free generation and pocket-guided design based on input type. credentials managed via external json file, all tool specs sourced from authoritative markdown docs.

optical chemical structure recognition extracts molecule structures and names from chemistry images via the sciminer api, requiring credential setup and enforcing external documentation as the authoritative payload source.

synthesis-evaluation chains three molecular chemistry tools (synformer-ed, retrosynthesis planner, sascore) via sciminer api to generate analogs, propose synthetic routes, and score accessibility. requires external api credential management and defers implementation details to external markdown docs.

admet-pkpd bundles six molecular property prediction tools (admet predictor, aomp, oba, graph-pka, deepesol, molecular descriptors) via sciminer api, with clear tool-selection rules and mandatory credential setup. procedure relies on external markdown docs for invocation specifics.

Protein, peptide, antibody, nanobody, binder, enzyme, and sequence design workflows using Boltzgen, RFdiffusion, RFdiffusion2, RFdiffusion3, ProteinMPNN, Lig...

Molecular docking workflows across Gnina, AutoDock Vina, PackDock, SurfDock, and DiffDock through SciMiner, with Gnina as the default engine.

Biomolecular structure prediction tools for Chai-1, Boltz-2, and AlphaFold3 via SciMiner APIs.

Peptide design, docking, and peptide property analysis tools exposed through SciMiner.