ChemSharp
importedtherapeutics/chemsharp
Library for processing of chemistry related files (aiming at spectroscopy and structural files)
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/JensKrumsieck/ChemSharp
- Documentation
- unknown
- Tags
- 3d · bruker · chemdraw · cheminformatics · chemistry · chemsharp · crystallography · csharp · epr · epr-spectroscopy · helix-toolkit · nmr · nmr-spectroscopy · spectroscopy · tu-braunschweig · unity · uvvis · uvvis-spectroscopy · varian
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- MolDeTrcheminformatics · chemistry · nmr · nmr-spectroscopy · spectroscopy
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.
- uvvismlcheminformatics · spectroscopy · uvvis-spectroscopy
Predict optical properties of molecules with machine learning.
- 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…
- magnetsteinchemistry · nmr · nmr-spectroscopy · spectroscopy
Tools for quantitative analysis of nuclear magnetic resonance (NMR) spectra using the Wasserstein metric.
- Molecular3DLengthDescriptors3d · cheminformatics · chemistry · crystallography
A 3D conformational based molecular descriptor set for use in QSPR and Machine Learning.
- logD_predictorcheminformatics · nmr · nmr-spectroscopy
Prediction of CHI logD from ¹H/¹³C NMR spectra and molecular fingerprints using ML and deep learning.
- api.github.com/repos/JensKrumsieck/ChemSharpretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2024-06-13, 18 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/0.json→ .entries["chemsharp"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.