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@Cognitive-Chemistry-Labs

Cognitive Chemistry Labs

Advancing the fields of computational chemistry and biology by providing high-quality tools and resources for researchers, educators, and industry professionals

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Welcome to our GitHub organization! We are dedicated to advancing the fields of computational chemistry and biology by providing high-quality tools and resources for researchers, educators, and industry professionals.

About Us

Our mission is to accelerate scientific discovery and innovation in chemistry/biology through modern software solutions. We develop, maintain, and support a diverse suite of projects and products that enable:

  • Molecular modeling and visualization
  • Data analysis and curation
  • Machine learning for chemistry
  • Web and API interfaces for chemical data

Featured Repositories

Explore our key projects:

  • padelpy2/: Python wrapper for PaDEL-Descriptor
  • cognichem-client-python/: Python client for CogniChem's platform

Get Involved

We welcome contributions from the community! If you are interested in collaborating, please:

  • Explore our repositories
  • Open issues or feature requests
  • Submit pull requests
  • Reach out for partnership opportunities

Contact

For questions, support, or collaboration inquiries, please contact us via GitHub Issues or visit our website.

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  1. padelpy2 padelpy2 Public

    Python wrapper for PaDEL-Descriptor, enabling fast calculation of molecular descriptors and fingerprints from RDKit molecules, with results as pandas DataFrames.

    Python 1

  2. cognichem-client-python cognichem-client-python Public

    Client library for interacting with Cognichem's cheminformatics services, supporting molecular inference, job management, and utility functions for chemical data processing.

    Python

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