spoc
importedtherapeutics/spoc
An integrated Python package for molecular descriptor generation, data processing, model training, and hyper-parameter optimization.
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
- Repository
- github.com/WhitestoneYang/spoc
- Documentation
- unknown
- Tags
- cheminformatics · fingerprint · machine-learning · molecular-descriptor · property-prediction
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- chematiccheminformatics · molecular-descriptor
A pure-Rust cheminformatics library targeting RDKit feature parity — zero C/C++ by default.
- e3fpcheminformatics · fingerprint
3D molecular fingerprints
- e3fp-papercheminformatics · fingerprint
3D molecular fingerprints (E3FP) paper repo
- GSoC2025_Hbond_PMcheminformatics · fingerprint
GSoC 2025 - MDAnalysis x ProLIF Project 5: H-Bond interactions from implicit hydrogens
- logD_predictorcheminformatics · fingerprint
Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.
- Rcpicheminformatics · fingerprint
💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
- api.github.com/repos/WhitestoneYang/spocretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2024-01-14, 8 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/40.json→ .entries["spoc"]
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