SpectraFP
importedtherapeutics/spectrafp
A package to perform fingerprints from spectroscopy datas.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- GPL-3.0(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- unknown
- Documentation
- unknown
- Tags
- cheminformatics · chemistry · chemistry-development-kit · descriptor · nmr-descriptor · nmr-spectroscopy · qsar · qspr
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- pyCheckmolcheminformatics · chemistry · chemistry-development-kit · qsar · qspr
Application for detecting functional groups of a molecules.
- logD_predictorcheminformatics · nmr-spectroscopy · qspr
Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.
- Molecular3DLengthDescriptorscheminformatics · chemistry · descriptor
A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.
- molbokehcheminformatics · qsar · qspr
A new python package to visualize molecules in dots hover
- QSPRpredcheminformatics · qsar · qspr
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
- AutoChemcheminformatics · chemistry · chemistry-development-kit
Virtual Chemical Reactor and scripts for automated quantum chemistry calculations
- api.github.com/repos/jeffrichardchemistry/SpectraFPretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2025-06-22, 8 stars, license reported as GPL-3.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/17.json→ .entries["spectrafp"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.