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Self-hosted alternatives to rdkit

5 self-hosted AI Skills apps to use instead, best rated first.

Top picks

  1. C

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  3. R

    Reactive Resume

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    Reactive Resume is a free and open-source resume builder for writing resumes and cover letters, checking the work, and tracking job applications. You create a free account, import an existing resume or start from scratch, and see the finish

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  4. S

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    Self-hosted funnel launch is an agent skill that takes a funnel from an empty install to published on infrastructure you control, using the Autonnel funnel builder, which is licensed Apache-2.0. The result covers a landing page, checkout, a

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  5. G

    get-convex/convex-backend

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    Convex is an open-source reactive database for web app developers. It combines a database, a place to write server functions in pure TypeScript, and client libraries that keep the app's data live, so screens update as the data changes. Beca

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About rdkit

R

rdkit

Cheminformatics toolkit for fine-grained molecular control

rdkit is an agent skill for cheminformatics with the RDKit toolkit, which gives fine-grained control over molecules. It covers reading and writing molecular structures from SMILES and SDF files, calculating descriptors such as molecular weight, LogP and TPSA, generating fingerprints, substructure searching, chemical reactions, two- and three-dimensional coordinate generation, and molecular visualisation. It is for drug discovery, computational chemistry and cheminformatics research. The tested stable baseline, reviewed on 1 October 2026, is RDKit 2026.03.6, which is installed from PyPI as rdkit==2026.3.6. The official installation documentation still recommends conda-forge for most users, while the cross-platform PyPI wheels are published under the rdkit name. The older rdkit-pypi name should appear only when maintaining legacy environments. The skill suggests uv for installing into an existing Python environment. For reproducible chemistry environments, especially where compiled scientific packages are mixed, it recommends conda-forge, as the upstream project does. Use it when you need to parse, clean up, describe or compare molecules in a script.

View rdkitAll AI Skills apps
Price
Free
Made by
k-dense-ai
Category
AI Skills
Website
github.com/k-dense-ai/scientific-agent-skills/rdkit