Skill Claude CodeCodex
A molecule-property prediction tool for ADME, meaning absorption, distribution, metabolism, and excretion—the ways a drug moves through and leaves the body. It uses a molecule’s SMILES string to estimate several drug-development properties.
Skill Claude CodeCodex
Predict 11B (boron-11) NMR chemical shift for boron-containing molecules using a local CPU inference pipeline. Use when the user asks to predict boron NMR or 11B chemical shift and provides a molecule such as a SMILES string. The skill can download model weights from Hugging Face on first use, run local CPU inference…
Skill Claude CodeCodex
Extract structured chemical compound characterization data from chemistry supplementary material documents (PDF/Markdown). 从化学论文补充材料(PDF/Markdown)中提取结构化化合物表征数据。 Use when Kimi needs to extract compound properties including NMR spectra, HRMS, HPLC data, melting points, optical rotation, and yield information from…
Skill Claude CodeCodex
A chemistry file converter for changing molecular structures between formats such as XYZ, Gaussian input, MOL, SDF, PDB, MOL2, SMILES, CML, and MOPAC. These formats store atom coordinates, bonds, or calculation settings in different ways.
Skill Claude CodeCodex
A molecular-structure tool that improves the 3D arrangement of atoms using the semi-empirical xTB calculation method. It can create a 3D structure from a SMILES string or use an existing XYZ file.
Skill Claude CodeCodex
A file converter that extracts molecular atom coordinates from Gaussian input files, which are text files used to set up Gaussian chemistry calculations, and writes them as XYZ files. It supports single files and folders of files.
Skill Claude CodeCodex
Compute and visualize IR Spectra from input SMILES or XYZ file with MLatom.
Skill Claude CodeCodex
A name-to-structure converter that turns IUPAC chemical names into SMILES strings, a compact text format for molecular structures. It also handles some polymer names and can return formula and molecular weight for ordinary compounds.
Skill Claude CodeCodex
A document-conversion tool that turns research PDFs into Markdown files and extracts their embedded figures and images. It can also preserve tables, mathematical formulas, document structure, and basic metadata.
Skill Claude CodeCodex
Compute vibrational spectra from MD trajectory — power spectrum (velocity autocorrelation) or IR (dipole autocorrelation) via MLatom.
Skill Claude CodeCodex
Convert PDF files to Markdown using MinerU API. 使用MinerU API将PDF文件转换为Markdown格式。 Use when Kimi needs to extract structured text, images, tables, and formulas from PDF documents while preserving document layout and formatting. 适用于需要提取结构化文本、图片、表格和公式并保留文档布局的场景。 Supports batch conversion and outputs full.md with images/…
Skill Claude CodeCodex
A molecular 2D viewer that turns a SMILES string or chemical name into a flat chemical structure drawing. It also supports polymer structures.
Skill Claude CodeCodex
A molecular 3D viewer that turns a SMILES string, chemical name, or molecule file into a three-dimensional structure. It can produce an SDF file, a rendered image, or a rotatable HTML page.
Skill Claude CodeCodex
A tool that reads a picture of a chemical molecule and converts its structure into a SMILES string, a compact text notation for molecules.
Skill Claude CodeCodex
A tool for turning molecular structure and chemistry calculation files into publication-quality images and animations. It can produce SVG, PNG, PDF, and GIF files, including views of transition states, molecular orbitals, crystal structures, and electron properties.
Skill Claude CodeCodex
A tool that predicts several physical and chemical properties of a single small molecule from its SMILES structure, such as melting point, boiling point, density, viscosity, and vapor pressure. SMILES is a text notation for describing a molecule.
Skill Claude CodeCodex
Predict and visualize MS/MS spectra from a single SMILES using the fioRa online app. Use when the user wants a mass spectrum, MGF/MSP output, or a plotted stick spectrum from SMILES, with optional custom Name, precursor type, collision energy, and instrument settings.
Skill Claude CodeCodex
Predict liquid-phase ¹H and ¹³C NMR chemical shifts from a SMILES string using NMRNet (deep learning, SE(3)-Transformer). Outputs per-atom shift values (ppm) and Lorentzian-broadened spectrum PNG files.
Skill Claude CodeCodex
A tool for extracting molecular coordinates from PDF research papers, especially supplementary files, and converting them into Gaussian input files. Gaussian input files describe calculations for the Gaussian computational chemistry program.
Skill Claude CodeCodex
A small-molecule pKa prediction tool. pKa describes how readily a molecule gains or loses a proton, which affects its behavior in solution.
Skill Claude CodeCodex
Compute and visualize Raman Spectra from input SMILES or XYZ file with MLatom.
Skill Claude CodeCodex
A chemistry document-extraction tool that reads research-paper PDFs and turns reaction details into structured CSV or JSON data. It can extract substances, catalysts, solvents, temperatures, times, pressures, and yields.
Skill Claude CodeCodex
A chemical naming tool that converts SMILES, a text format for describing molecular structures, into IUPAC chemical names. It also validates structures, calculates selected molecular properties, supports batches and polymer markers, and can retain stereochemistry.
Skill Claude CodeCodex
A reference predictor for surface tension related to surfactants, which are substances that affect how liquids behave at their surface. It accepts SMILES molecular structures and offers a local heuristic baseline plus a public-model backend.