Molecular3DLengthDescriptors
importedtherapeutics/molecular3dlengthdescriptors
A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Documentation
- unknown
- Tags
- 3d · cheminformatics · chemistry · conformer · crystallography · descriptor · learning · machine · molecule · rdkit
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- ChemSharp3d · cheminformatics · chemistry · crystallography
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
- SpectraFPcheminformatics · chemistry · descriptor
A package to perform fingerprints from spectroscopy datas.
- chemistry_drawercheminformatics · chemistry · molecule · rdkit
Draw molecules with plotly!
- chemdraw-mcpcheminformatics · chemistry · learning · rdkit
MCP server for Claude: molecule names or SMILES → publication-style 2D structure drawings (PNG/SVG, offline via RDKit), reaction schemes, curved-arrow mechanisms and schematic spectra. Optional…
- datamolcheminformatics · molecule · rdkit
Molecular Processing Made Easy.
- hbatchemistry · crystallography
HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures https://hbat-web.abhishek-tiwari.com
- api.github.com/repos/ThomasJewson/Molecular3DLengthDescriptorsretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2021-05-07, 7 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/60.json→ .entries["molecular3dlengthdescriptors"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.