Alternatives and similar repositories for MetaboT

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

• skinniderlab / CLM
  ☆17Updated last week
• BAMeScience / fiora
  Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…
  ☆47Updated 3 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆22Updated 4 months ago
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆72Updated last year
• pnnl / darkchem
  ☆33Updated last year
• mwang87 / NP-Classifier
  ☆27Updated 3 weeks ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆86Updated 4 months ago
• XiminHu / mass-suite
  ☆29Updated last year
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆71Updated this week
• pluskal-lab / MassSpecGym
  MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
  ☆111Updated 2 months ago
• AlBi-HHU / myopic-mces
  ☆18Updated this week
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆23Updated last month
• hesther / enzymemap
  Python package to atom map, correct and suggest enzymatic reactions
  ☆42Updated last year
• lucinamay / biosynfoni
  a *biosynformatic* fingerprint to explore natural product distance and diversity
  ☆20Updated 5 months ago
• coleygroup / desp
  Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)
  ☆29Updated last year
• Merck / PepSeA
  ☆27Updated 4 years ago
• rsc-ontology / rxno
  Name Reaction Ontology
  ☆45Updated last week
• michaelwitting / RepoRT
  This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …
  ☆59Updated last month
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆31Updated 11 months ago
• Novartis / div_rank
  This code allows is for diversity picking across multiple different, and potentially overlapping chemical compound classes, while at the …
  ☆11Updated 5 years ago
• EliLillyCo / BioRels
  Biological Relationships - Biorels data preparation infrastructure for biology and drug discovery
  ☆14Updated 8 months ago
• coleygroup / ms-pred
  Predicting tandem mass spectra from molecules
  ☆130Updated 3 weeks ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated 4 months ago
• protwis / protwis
  Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…
  ☆44Updated 2 weeks ago
• OpenADMET / openadmet-toolkit
  Toolkit for large scale ADMET modelling
  ☆23Updated last week
• KavrakiLab / Spec2Mol
  ☆28Updated 2 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆32Updated 2 years ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆86Updated 3 months ago
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆47Updated last week
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆23Updated 2 years ago