Alternatives and similar repositories for NMR2Struct

Users that are interested in NMR2Struct are comparing it to the libraries listed below

• hcji / PyCFMID
  This package is a python warpper for CFM-ID
  ☆13Updated 3 years ago
• WJmodels / CMGNet
  ☆12Updated 3 years ago
• Elizachem / SMRT_transfer
  ☆11Updated 3 years ago
• yliuhz / PMAW
  Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"
  ☆10Updated 3 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago
• Qiong-Yang / GNN-RT
  ☆15Updated 4 years ago
• zhengfj1994 / PPGB_MS2
  ☆11Updated last year
• Brandt-J / SpectraReconstruction
  ☆14Updated 3 years ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• HopkinsLaboratory / Graphormer-IR
  Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…
  ☆13Updated 8 months ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆25Updated 2 years ago
• HassounLab / MADGEN
  MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION
  ☆18Updated 3 months ago
• X1nyuLu / PACE
  Patch-based Convlutional Encoder for vibrational spectrum recognition
  ☆13Updated last year
• Ryan21wy / EasyCID
  Component Identification with Raman Spectroscopy Made Easy
  ☆19Updated last year
• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆34Updated 6 months ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆32Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆24Updated 4 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆22Updated 4 months ago
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆23Updated 3 months ago
• KavrakiLab / Spec2Mol
  ☆28Updated 2 years ago
• TieuLongPhan / SynKit
  Toolkit for synthesis planning
  ☆35Updated last month
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆30Updated last year
• Kohulan / DECIMER-Java
  Deep Learning for Chemical Image Recognition (DECIMER)
  ☆18Updated 4 years ago
• akensert / GCN-retention-time-predictions
  Implementation of graph convolutional networks to predict chromatographic retention times.
  ☆15Updated 4 years ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆31Updated 11 months ago
• XiminHu / mass-suite
  ☆29Updated last year
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆22Updated last month
• mahynski / pychemauth
  Chemometric analysis methods implemented in python
  ☆13Updated 6 months ago
• zqfang / drugai
  Graph Neural Networks for Drug Efficacy Prediction
  ☆11Updated 3 years ago
• gfm-collab / chemprop-IR
  ☆29Updated 4 years ago