Skills en este repositorio
SkillsMP ha recopilado 67 skills de InternScience/MolClaw. Abre una skill para revisar su origen y sus detalles.
InternScience/MolClawMostrando 27 de 67 skills recopiladas.
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.
Idioma del texto original: inglés
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…
Idioma del texto original: inglés
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.
Idioma del texto original: inglés
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.
Idioma del texto original: inglés
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.
Idioma del texto original: inglés
Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__residue_mapper`. Map residue indices among UniProt, PDB author numbering, and tool-internal numbering.
Idioma del texto original: inglés
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.
Idioma del texto original: inglés
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.
Idioma del texto original: inglés
Use the configured MolClaw MCP tools through Claude; direct Python SDK access is an optional fallback for standalone scripts.
Idioma del texto original: inglés
Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__is_valid_protein_sequence`. Check if the input protein sequence is valid.
Idioma del texto original: inglés
Use when calling these MolClaw MCP tools: `mcp__molclaw-scp__is_valid_smiles`. Check if the input molecule SMILES string is valid.
Idioma del texto original: inglés
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`.
Idioma del texto original: inglés
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`.
Idioma del texto original: inglés
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…
Idioma del texto original: inglés
Repair a protein PDB or mmCIF structure with PDBFixer and write a repaired PDB.
Idioma del texto original: inglés
Execution-ready protein-ligand MM/GB(PB)SA workflow with explicit MCP handoffs and optional analysis.
Idioma del texto original: inglés
Execution-ready protein-protein MM/GB(PB)SA workflow with MCP-exposed tool names, strict file validation, and failure guards.
Idioma del texto original: inglés
[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.
Idioma del texto original: inglés
High-level large-scale virtual screening workflow (10+ ligands) combining property filtering, QuickVina docking, EquiScore rescoring, and consensus ranking for target prioritization.
Idioma del texto original: inglés
Detect binding pockets with fpocket_toolkit and return parsed pocket descriptors and run artifacts.
Idioma del texto original: inglés
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.
Idioma del texto original: inglés
ProLIF docking-pose analysis skill for batch interaction fingerprints and interaction count summaries.
Idioma del texto original: inglés
ProLIF MD trajectory analysis skill for protein-ligand interaction fingerprints with frame slicing and residue controls.
Idioma del texto original: inglés
ProLIF static complex analysis skill for a single protein-ligand structure.
Idioma del texto original: inglés
ProLIF protein-protein trajectory analysis skill for interface interaction fingerprints and stability profiling.
Idioma del texto original: inglés
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…
Idioma del texto original: inglés
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".
Idioma del texto original: inglés