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
• Elizachem / SMRT_transfer
  ☆11Updated 3 years ago
• WJmodels / CMGNet
  ☆12Updated 3 years ago
• zhengfj1994 / PPGB_MS2
  ☆11Updated 11 months ago
• Brandt-J / SpectraReconstruction
  ☆14Updated 3 years ago
• HopkinsLaboratory / Graphormer-IR
  Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…
  ☆13Updated 6 months ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆24Updated 2 years ago
• KavrakiLab / Spec2Mol
  ☆27Updated 2 years ago
• akensert / GCN-retention-time-predictions
  Implementation of graph convolutional networks to predict chromatographic retention times.
  ☆15Updated 4 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆23Updated 2 years ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• HassounLab / MADGEN
  MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION
  ☆16Updated last month
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆23Updated last month
• Qiong-Yang / GNN-RT
  ☆15Updated 3 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆30Updated 2 years ago
• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆34Updated 4 months ago
• yliuhz / PMAW
  Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"
  ☆10Updated 3 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• wangzhehyd / fastsmcg
  Data and code required to reach the main conclusions of the fastsmcg paper
  ☆10Updated 2 years ago
• Kohulan / DECIMER-Java
  Deep Learning for Chemical Image Recognition (DECIMER)
  ☆18Updated 4 years ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 9 months ago
• TieuLongPhan / SynKit
  Toolkit for synthesis planning
  ☆25Updated 3 weeks ago
• gfm-collab / chemprop-IR
  ☆27Updated 4 years ago
• mahynski / pychemauth
  Chemometric analysis methods implemented in python
  ☆13Updated 4 months ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆24Updated 2 months ago
• yonghanyu / DeepSearch
  ☆19Updated 7 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆22Updated 2 months ago
• chemprop / chemprop_benchmark
  Chemprop benchmarking scripts and data for v1
  ☆28Updated last year
• rxn4chemistry / MultimodalAnalytical
  Predicting molecular structure from multimodal spectroscopic data
  ☆15Updated 2 months ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year