fep-alternative
Relative binding free-energy and activity-label prediction workflows using PBCNet 2.0 on SciMiner, with Gnina docking and PDB/database retrieval to complete...
life-science-database-query
General life-sciences research copilot bundling 50 modular sub-skills across human genetics, variant interpretation, functional genomics, expression, pathway...
structure-prediction
Biomolecular structure prediction tools for Chai-1, Boltz-2, and AlphaFold3 via SciMiner APIs.
virtual-screening
Virtual screening workflows combining protein-sequence lookup, docking box calculation, transformer-based library screening, and docking-based proprietary li...
binding-site-prediction
Binding-site and pocket prediction workflows using P2Rank, AF2BIND, and fpocket through SciMiner.
chemical-recognition
Optical chemical structure recognition workflow for extracting molecule structures and names from images through SciMiner.
antibody-engineering
Antibody engineering workflow combining ANARCI, BioPhi, IgFold, FoldX, and Rosetta tools through SciMiner.
protein-design
Protein, peptide, antibody, nanobody, binder, enzyme, and sequence design workflows using Boltzgen, RFdiffusion, RFdiffusion2, RFdiffusion3, ProteinMPNN, Lig...
optical-chemical-structure-recognition
pharma-intelligence
In-depth, multi-region pharmaceutical intelligence search and synthesis, plus drug repurposing, target discovery, clinical evidence review, and bioactivity a...
sar-analysis
Structure-activity relationship analysis workflows using SciMiner's MCS-based and scaffold-based SAR APIs for file or inline table inputs, plus an AlphaFold3-based binding-mode prediction workflow for target-aware SAR.
small-molecule-design
Small-molecule generation workflows combining REINVENT4, PocketXMol, fpocket, and Gnina Score through SciMiner.
synthesis-evaluation
Synthesis evaluation workflows combining SynFormer-ED, Retrosynthesis Planner, and SAScore through SciMiner.
admet-pkpd
ADMET and pharmacokinetic/pharmacodynamic property prediction workflows using ADMET Predictor, AOMP, OBA, Graph-pKa, DeepEsol, and Molecular Descriptors thro...
ready-tools-on-sciminer
Discover a user-specified SciMiner tool from the published API-doc index, read its Markdown description, and invoke it through the SciMiner internal API.
molecular-docking
Molecular docking workflows across Gnina, AutoDock Vina, PackDock, SurfDock, and DiffDock through SciMiner, with Gnina as the default engine.
peptide-design
Peptide design, docking, and peptide property analysis tools exposed through SciMiner.
