Skill Claude CodeCodex
UV-Vis spectrum from SMILES via UV-adVISor (https://spectra.collaborationspharma.com/). Input SMILES, auto-fetch, plot PNG.
52 5mo ago A 41 tokens
original MIT
Skill Claude CodeCodex
XRD spectrum from CIF structure file using pymatgen (Cu Kα).
52 5mo ago A 24 tokens
original MIT
Skill Claude CodeCodex
Predict the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the input molecules.
32 25d ago A 30 tokens
original MIT
Skill Claude CodeCodex
Predict binding affinity between target protein sequence and small molecule SMILES using Boltz-2.
32 25d ago A 28 tokens
original MIT
Skill Claude CodeCodex
Predict protein structures with Chai-1 from sequence or FASTA input and return model scoring summaries.
32 25d ago A 29 tokens
original MIT
Skill Claude CodeCodex
Chroma toolkit skill covering chromamonomer for single-chain generation, chromacomplex for multi-chain assembly generation, and chromasymmetry for symmetry-constrained protein design.
32 25d ago A 44 tokens
original MIT
Skill Claude CodeCodex
Retrieve SMILES strings by compound name using PubChem with an NCI resolver fallback.
32 25d ago A 25 tokens
original MIT
Skill Claude CodeCodex
Generate new molecules de novo.
32 25d ago A 14 tokens
original MIT
Skill Claude CodeCodex
Note.
32 25d ago A 54 tokens
original MIT
Skill Claude CodeCodex
Calculate disease reversal scores for the provided molecules relative to a specific disease.
32 25d ago A 21 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.
32 25d ago A 44 tokens
original MIT
Skill Claude CodeCodex
Compute the drug-likeness metrics (QED score and Number of violations of Lipinski's Rule of Five) of the input candidate molecules (SMILES format).
32 25d ago A 42 tokens
original MIT
Skill Claude CodeCodex
End-to-end docking-score ranking using EquiScore for candidate molecules against a target protein.
32 25d ago A 27 tokens
original MIT
Skill Claude CodeCodex
Unified EquiScore skill for pocket extraction, pocket scoring, and end-to-end docking-to-score pipeline execution.
32 25d ago A 30 tokens
original MIT
Skill Claude CodeCodex
Use ESMFold model to predict 3D structure of the input protein sequence.
32 25d ago A 24 tokens
original MIT
Skill Claude CodeCodex
Design linear or cyclic peptide binders from receptor FASTA sequences using EvoBind2 with structured result outputs.
32 25d ago A 30 tokens
original MIT
Skill Claude CodeCodex
Extract protein sequence of each chain from the protein structure file (pdb format).
32 25d ago A 24 tokens
original MIT
Skill Claude CodeCodex
Implement data transmission between the local computer and the MCP Server using Base64 encoding.
32 25d ago A 21 tokens
original MIT
Skill Claude CodeCodex
Repair and clean PDB or mmCIF structures with PDBFixer, returning a repaired PDB path and topology counts.
32 25d ago A 34 tokens
original MIT
Skill Claude CodeCodex
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 (PositionScan), PSSM generation (Pssm), and per-residue energy…
32 25d ago A 107 tokens
original MIT
Skill Claude CodeCodex
Detect binding pockets with fpockettoolkit and return parsed pocket descriptors and run artifacts.
32 25d ago A 27 tokens
original MIT
Skill Claude CodeCodex
Use fpocket to detect binding pockets and output their detailed properties for the input protein. This offers a more concise approach to pocket identification.
32 25d ago A 34 tokens
original MIT
Skill Claude CodeCodex
Run GoCa coarse-grained protein MD pipeline and collect key simulation artifacts from a unified run directory.
32 25d ago A 27 tokens
original MIT
Skill Claude CodeCodex
Run HDOCKlite docking for protein complexes and return run directories with ranked models.
32 25d ago A 24 tokens
original MIT