molstruct
importedtherapeutics/molstruct
Convert chemical molecule data CSV files to structured data formats
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
- pypi.org/project/molstruct/
- Repository
- github.com/lszeremeta/molstruct
- Documentation
- unknown
- Tags
- bioschemas · cheminformatics · chemoinformatics · csv · docker-image · json-ld · microdata · molecularentity · molecule · molecule-data · molecules · rdfa · schema · schema-org · schemaorg
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- SDFEatercheminformatics · docker-image · molecularentity
Always hungry SDF chemical file format parser with many output formats
- datamolcheminformatics · molecule · molecules
Molecular Processing Made Easy.
- PIDGINv2cheminformatics · chemoinformatics · molecule
PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
- biopandasmolecule · molecules
Working with molecular structures in pandas DataFrames
- Chelombuschemoinformatics · molecules
Clustering and visualization of billions of molecules (or other high-dimensional data). 1 billion, 100K clusters, less than 3 hours, one GPU.
- docker-postgres-rdkitcheminformatics · docker-image
PostgreSQL Docker image with RDKit cartridge
- api.github.com/repos/lszeremeta/molstructretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2025-12-15, 4 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/34.json→ .entries["molstruct"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.