MolDeTr
importedtherapeutics/moldetr
Chemistry-informed deep learning (1D Deformable-DETR) for automated ¹H NMR multiplet detection: δ, coupling J, proton count and line width in one forward pass.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- active
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Repository
- github.com/smidooo/MolDeTr
- Documentation
- unknown
- Tags
- cheminformatics · chemistry · deep-learning · deformable-detr · multiplet-detection · nmr · nmr-spectroscopy · object-detection · pytorch · scientific-computing · spectroscopy · transformer
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- ChemSharpcheminformatics · chemistry · nmr · nmr-spectroscopy · spectroscopy
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
- Demiurgecheminformatics · chemistry · nmr · nmr-spectroscopy
Demiurge is a Python tool for generating ML input data from simulated ¹H/¹³C NMR spectra or ECFP4 fingerprints. It uses local NMRshiftDB2 prediction and RDKit, producing ML-ready CSVs from SMILES in…
- logD_predictorcheminformatics · nmr · nmr-spectroscopy · pytorch
Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.
- magnetsteinchemistry · nmr · nmr-spectroscopy · spectroscopy
Tools for quantitative analysis of nuclear magnetic resonance (NMR) spectra using the Wasserstein metric.
- SpectraFPcheminformatics · chemistry · nmr-spectroscopy
A package to perform fingerprints from spectroscopy datas.
- molgencheminformatics · chemistry · pytorch · transformer
Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and MOSES-style metrics.
- api.github.com/repos/smidooo/MolDeTrretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2026-08-25, 3 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/2.json→ .entries["moldetr"]
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