stk
importedtherapeutics/stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- stk.readthedocs.io/
- Repository
- github.com/lukasturcani/stk
- Documentation
- unknown
- Tags
- cheminformatics · chemistry · computational-chemistry · computational-science · materials-design · materials-discoveries · materials-science · materials-screening
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- molecular-vaecheminformatics · chemistry · materials-science
Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
- chemfilescheminformatics · chemistry · computational-chemistry
Library for reading and writing chemistry files
- lemoncheminformatics · chemistry · computational-chemistry
A framework for rapidly mining structural information from the Protein Data Bank
- pyADAcheminformatics · chemistry · computational-chemistry
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
- ScaffoldGraphcheminformatics · chemistry · computational-chemistry
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
- stkocheminformatics · chemistry · computational-chemistry
A collection of molecular optimisers and property calculators for use with stk.
- api.github.com/repos/lukasturcani/stkretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-01-04, 287 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/11.json→ .entries["stk"]
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