Alternatives and similar repositories for nmrpro

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

• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆32Updated 5 years ago
• bennomeier / pyNMR
  A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format
  ☆35Updated last month
• Gscorreia89 / pyChemometrics
  pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets
  ☆40Updated last month
• Ananikov-Lab / medusa
  The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
  ☆27Updated 3 months ago
• JinZhangLab / pynir
  python toolkit for calibration of near infrared ( NIR) spectra
  ☆14Updated 4 months ago
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆26Updated last week
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆75Updated 5 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• oddt / notebooks
  Open Drug Discovery Toolkit (ODDT) Notebooks 101
  ☆19Updated 6 years ago
• michaelmarty / AnalChem
  Python notebooks for teaching analytical chemistry
  ☆13Updated 4 years ago
• EBjerrum / Deep-Chemometrics
  Using deep learning approaches and convolutional neural networks (CNN) for spectroscopical data (deep chemometrics)
  ☆74Updated 6 years ago
• MDAnalysis / pmda
  Parallel algorithms for MDAnalysis
  ☆31Updated 9 months ago
• markovmodel / adaptivemd
  A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
  ☆18Updated last year
• ma-bio21 / pyms
  ☆12Updated 7 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆44Updated 2 months ago
• boscoh / pdbremix
  analyse PDB files, run molecular-dynamics & analyse trajectories
  ☆61Updated 7 years ago
• rdkit / CheTo
  CheTo - Chemical Topic Modeling
  ☆32Updated 4 years ago
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆52Updated 3 years ago
• denoptim-project / DENOPTIM
  DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
  ☆37Updated last month
• henryorton / paramagpy
  Calculating paramagnetic NMR effects in proteins
  ☆9Updated 2 years ago
• szymonzaczek / MDMS
  MDMS: Molecular Dynamics Made Simple; Python program facilitating performing Molecular Dynamics simulations of proteins
  ☆25Updated 5 years ago
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆116Updated 6 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated 8 months ago
• seokhokang / nmr_mpnn
  Neural Message Passing for NMR Chemical Shift Prediction
  ☆9Updated 3 years ago
• lidawei1975 / deep
  ANN based NMR peak picker
  ☆20Updated last week
• rangsimanketkaew / compchem
  Computational Chemistry
  ☆22Updated 7 months ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆27Updated 7 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆17Updated 5 years ago
• bayer-science-for-a-better-life / neuraldecipher
  Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…
  ☆26Updated 4 years ago
• jvansan / nmrshiftdb_predictors_app
  ☆9Updated 4 years ago