Search Results for "chemical structure recognition tool"
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Showing 10 open source projects for "chemical structure recognition tool"
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MinerU
A high-quality tool for convert PDF to Markdown and JSON
MinerU is an open-source, high-quality document extraction toolkit focused on converting PDFs (and other document formats) into structured Markdown and JSON. It leverages OCR and layout analysis to preserve semantic structure and metadata, ideal for research and data science workflows. -
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ChemCanvas
Chemical structure drawing tool
This is targeted to be the most intuitive opensource 2D chemical drawing tool. You can draw organic chemical structures and reactions very easily and quickly. Available to download for Windows and Linux (AppImage, Flatpak, Snap) -
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SDF Merger
Desktop application for merging multiple SDF files into a single SDF
...Language: Python 3 2. GUI Framework: Tkinter 3. Chemistry Library: RDKit for chemical data processing 4. File Formats: Input/Output in SDF format Citation Md. Ismiel Hossen, A. (2026). SDF Merger: A Desktop and Web Tool for Merging Chemical Structure Data Files (v1.1). Zenodo. https://doi.org/10.5281/zenodo.18291398 -
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Chem-Parser
Molecule Sketcher and Immediate Parser to Excel, .SMI and 3D SDF
Chem-Parser is an intuitive and efficient utility designed to streamline the data curation process for QSAR (Quantitative Structure–Activity Relationship) modeling and cheminformatics workflows. This versatile tool allows users to draw chemical structures, parse multiple SMILES strings, and automatically populate a structured table with associated compound names and custom-defined value tags such as biological activity or physicochemical properties. By enabling rapid structure-to-data mapping, Chem-Parser significantly reduces manual effort in dataset preparation, ensuring consistency and accuracy across large compound libraries. ... -
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Argo
ARGO is a program for analysis of electronic structure calculations
The `Argo' program draws its name from ancient Greek, referencing the vessel of the same name commissioned for Jason's renowned Argonauts expedition. This choice symbolizes the pursuit of making the best use of quantum chemical calculation results. ARGO facilitates the analysis of results obtained from quantum chemistry codes, specifically Gaussian. This task is achieved through a set of Python scripts. Our code is freely available throughout the academic community with the ambition to... -
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LaueTools
open source python packages for X-ray MicroLaue Diffraction analysis
LaueTools is an open-source project for white beam Laue x-ray microdiffraction data analysis including tools in image processing, peaks searching & indexing, crystal structure solving (orientation & strain) and data & grain mapping visualisation. Python 3 Code and new features are now at: https://gitlab.esrf.fr/micha/lauetools -
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Chemical structure sketching tool, for use with various cheminformatics applications. Convenient to use and moderately sophisticated. Suitable for viewing, creating and editing MDL MOL files.
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X3DBio2
A visual analysis tool for biomolecular structure comparison
A major problem in structural biology is the recognition of differences and similarities between related three dimensional (3D) protein structures. X3DBio2 is a visual analysis tool for 3D biomolecular structure comparison that allows for a clear comparison between similar structures from various species, for elucidation of structural effects of mutations, and for assessment of snapshots from molecular dynamics trajectories. -
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Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
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lazar (Lazy Structure-Activity Relationships) is a tool for the prediction of toxic activities of chemical structures.
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