InternScience/MolClaw - 2ページ

molclaw-protein-sequence-retrieve

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__retrieve_protein_sequence`. Search the target protein sequence information from the input gene name or uniprot id.

原文の言語: 英語

molclaw-protein-structure-retrieve

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__retrieve_protein_structure_by_gene_name`, `mcp__molclaw-scp__retrieve_protein_structure_by_pdb_id`, `mcp__molclaw-scp__retrieve_protein_structure_by_uniprot_id`. Retrieve and download a protein…

原文の言語: 英語

molclaw-proteinmpnn-tool

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__proteinmpnn_tool`. Design or score protein sequences from PDB structures using a ProteinMPNN workflow wrapper.

原文の言語: 英語

molclaw-pulchura-rebuild

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__pulchura_rebuild`. Rebuilds incomplete protein PDB structures with PULCHRA for downstream docking and simulation preparation.

原文の言語: 英語

molclaw-quickvina-docking

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__molecule_docking_quickvina_fullprocess`. Perform molecular docking using QuickVina2-GPU between target protein structure and small molecules.

原文の言語: 英語

molclaw-residue-mapper

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__residue_mapper`. Map residue indices among UniProt, PDB author numbering, and tool-internal numbering.

原文の言語: 英語

molclaw-rgroup-sampling

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__libinvent_rgroup_sampling_by_scaffold`, `mcp__molclaw-scp__libinvent_rgroup_sampling_by_scaffold_name`. Generate new molecules sampling from the input scaffold.

原文の言語: 英語

molclaw-run-bioemu

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__extract_bioemu_structures`, `mcp__molclaw-scp__run_bioemu`. Run BioEmu sequence sampling and extract ensemble structures for downstream conformation analysis.

原文の言語: 英語

molclaw-scp-server

Use the configured MolClaw MCP tools through Claude; direct Python SDK access is an optional fallback for standalone scripts.

原文の言語: 英語

molclaw-sequence-valid-check

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__is_valid_protein_sequence`. Check if the input protein sequence is valid.

原文の言語: 英語

molclaw-smiles-valid-check

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__is_valid_smiles`. Check if the input molecule SMILES string is valid.

原文の言語: 英語

molclaw-visualize-molecule

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__visualize_molecule`. Render a molecule from a SMILES string or a server-side molecular structure file with the MolClaw MCP tool `visualize_molecule`.

原文の言語: 英語

molclaw-visualize-protein

Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__visualize_protein`. Render a server-side PDB protein structure as a PNG with the MolClaw MCP tool `visualize_protein`.

原文の言語: 英語

molclaw-skill-template-writer

Formats extracted execution patterns into standard MolClaw skill documents. Accepts structured input from the Skill Crystallization Meta-Workflow (L2-12) and outputs a properly formatted L1 or L2 skill document conforming to MolClaw conventions. This skill…

原文の言語: 英語

molclaw-pdbfixer

Repair a protein PDB or mmCIF structure with PDBFixer and write a repaired PDB.

原文の言語: 英語

molclaw-protein-ligand-mmpbsa

Execution-ready protein-ligand MM/GB(PB)SA workflow with explicit MCP handoffs and optional analysis.

原文の言語: 英語

molclaw-protein-protein-mmpbsa

Execution-ready protein-protein MM/GB(PB)SA workflow with MCP-exposed tool names, strict file validation, and failure guards.

原文の言語: 英語

molclaw-diffdock-auto

[CURRENTLY UNAVAILABLE] DiffDock protein-ligand docking. This tool is not deployed on the current MCP server. Use molclaw-quickvina-docking or molclaw-karmadock-tool as alternatives.

原文の言語: 英語

molclaw-docking-screening

High-level large-scale virtual screening workflow (10+ ligands) combining property filtering, QuickVina docking, EquiScore rescoring, and consensus ranking for target prioritization.

原文の言語: 英語

molclaw-fpocket-toolkit-base

Detect binding pockets with fpocket_toolkit and return parsed pocket descriptors and run artifacts.

原文の言語: 英語

molclaw-mol-opt-physchem

Integrating molecular property calculation tools with the reasoning capabilities of Large Language Models (LLMs) to optimize key physicochemical properties of drug molecules, such as LogP, QED, and solubility.

原文の言語: 英語

molclaw-prolif-docking

ProLIF docking-pose analysis skill for batch interaction fingerprints and interaction count summaries.

原文の言語: 英語

molclaw-prolif-md

ProLIF MD trajectory analysis skill for protein-ligand interaction fingerprints with frame slicing and residue controls.

原文の言語: 英語

molclaw-prolif-pdb

ProLIF static complex analysis skill for a single protein-ligand structure.

原文の言語: 英語

molclaw-prolif-protein-protein

ProLIF protein-protein trajectory analysis skill for interface interaction fingerprints and stability profiling.

原文の言語: 英語

molclaw-smiles-fg-editor

Edit molecular structures in SMILES notation by adding, deleting, or replacing functional groups. Use this skill whenever the user asks to modify a molecule's SMILES by manipulating functional groups (e.g., "delete hydroxyl", "add nitrile", "replace amine…

原文の言語: 英語

pubmed-search

Search PubMed for scientific literature. Use when the user asks to find papers, search literature, look up research, find publications, or asks about recent studies. Triggers on "pubmed", "papers", "literature", "publications", "research on", "studies about".

原文の言語: 英語