Skill Claude CodeCodex
XRD spectrum from CIF structure file using pymatgen (Cu Kα).
not rated 53 6mo ago A 24 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scppredmoladmet. Predict the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the input molecules.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 56 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scppredbindingaffinityboltz2. Predict binding affinity between target protein sequence and small molecule SMILES using Boltz-2.
not rated 38
+1
changed 1mo ago A SkillSpector: warn 57 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpchai1predict. Predict protein structures with Chai-1 from sequence or FASTA input and return model scoring summaries.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 53 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpchromacomplex, mcpmolclaw-scpchromamonomer, mcpmolclaw-scpchromasymmetry. Chroma toolkit skill covering chromamonomer for single-chain generation, chromacomplex for multi-chain assembly generation, and chromasymmetry for symmetry-constrained protein design.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 99 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpretrievesmilesbycompoundname. Retrieve SMILES strings by compound name using PubChem with an NCI resolver fallback.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 53 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpreinventdenovosampling. Generate new molecules de novo.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 40 tokens
original MIT
Skill Claude CodeCodex
Note.
not rated 38
+1 1mo ago A 54 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpcalculatedlepsscore. Calculate disease reversal scores for the provided molecules relative to a specific disease.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 47 tokens
original MIT
Skill Claude CodeCodex
High-level large-scale virtual screening workflow (10+ ligands) combining property filtering, QuickVina docking, EquiScore rescoring, and consensus ranking for target prioritization.
not rated 38
+1 1mo ago A 44 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpcalculatemoldrugchemistry. Compute the drug-likeness metrics (QED score and Number of violations of Lipinski's Rule of Five) of the input candidate molecules (SMILES format).
not rated 38
+1
changed 1mo ago A SkillSpector: pass 71 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpconvertcomplexciftopdb, mcpmolclaw-scpconvertpdbtopdbqtdock, mcpmolclaw-scpconvertsmilestoformat. End-to-end docking-score ranking using EquiScore for candidate molecules against a target protein.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 91 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpequiscorepipeline, mcpmolclaw-scpequiscorepocket, mcpmolclaw-scpequiscorescreen. Unified EquiScore skill for pocket extraction, pocket scoring, and end-to-end docking-to-score pipeline execution.
not rated 38
+1
changed 1mo ago A SkillSpector: warn 86 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scppredproteinstructureesmfold. Use ESMFold model to predict 3D structure of the input protein sequence.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 52 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpevobindtool. Design linear or cyclic peptide binders from receptor FASTA sequences using EvoBind2 with structured result outputs.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 55 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpextractandsavechains, mcpmolclaw-scpextractpdbchains. Extract protein sequence of each chain from the protein structure file (pdb format).
not rated 38
+1
changed 1mo ago A SkillSpector: pass 66 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpbase64toserverfile, mcpmolclaw-scpserverfiletobase64. Transfer files through the MCP client using a local path when supported, or Base64 directly.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 66 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpfixpdb. Repair and clean PDB or mmCIF structures with PDBFixer, returning a repaired PDB path and topology counts.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 58 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpfoldxtool. FoldX protein stability and mutation analysis tool. Supports 8 modes: structure repair (RepairPDB), stability calculation (Stability), mutation ΔΔG (BuildModel), complex interface energy (AnalyseComplex), alanine scanning (AlaScan), position scanning…
not rated 38
+1
changed 1mo ago A SkillSpector: warn 116 tokens
original MIT
Skill Claude CodeCodex
Detect binding pockets with fpockettoolkit and return parsed pocket descriptors and run artifacts.
not rated 38
+1 1mo ago A SkillSpector: pass 27 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpfpockettoolkit. Use fpocket to detect binding pockets and output their detailed properties for the input protein. This offers a more concise approach to pocket identification.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 59 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpgocapipeline. Run GoCa coarse-grained protein MD pipeline and collect key simulation artifacts from a unified run directory.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 51 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scphdocktool. Run HDOCKlite docking for protein complexes and return run directories with ranked models.
not rated 38
+1
changed 1mo ago A SkillSpector: pass 48 tokens
original MIT
Skill Claude CodeCodex
Use when calling these MolClaw MCP tools: mcpmolclaw-scpinteractionvisualizer. PRIMARY tool for all single-structure interaction analysis. MCP-exposed protein–ligand / peptide / protein–protein interaction analysis and Schrödinger-style multi-dimensional visualization. Pure Python/NumPy engine covering 9 interaction…
not rated 38
+1
changed 1mo ago A SkillSpector: warn 121 tokens
original MIT
At most 3 mods per repository are shown here, and a mod shipped inside a plugin is left to that plugin's page — the rest are on their repository pages: