Alternatives and similar repositories for darkchem:

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

• BAMeScience / fiora
  Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…
  ☆31Updated last week
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆60Updated 2 months ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆70Updated 8 months ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• pnnl / MSAC
  ☆23Updated last month
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 4 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆68Updated last month
• merlin-ms / awesome-mass-spectral-libraries
  ☆18Updated 11 months ago
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆55Updated 11 months ago
• mwang87 / NP-Classifier
  ☆23Updated 7 months ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆41Updated 2 years ago
• AlBi-HHU / myopic-mces
  ☆16Updated last week
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• iwatobipen / chemo_info
  ☆32Updated 2 weeks ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆72Updated 10 months ago
• lucinamay / biosynfoni
  a *biosynformatic* fingerprint to explore natural product distance and diversity
  ☆18Updated 3 weeks ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆97Updated 7 months ago
• Merck / PepSeA
  ☆24Updated 3 years ago
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆51Updated 8 months ago
• XiminHu / mass-suite
  ☆25Updated last year
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆54Updated last year
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆33Updated 2 years ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆17Updated 6 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆32Updated last year
• czodrowskilab / VSFlow
  ☆88Updated 2 months ago
• Philipbear / msbuddy
  a python package for molecular formula analysis in MS-based small molecule studies
  ☆27Updated 2 months ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆42Updated 5 years ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆51Updated 2 years ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆58Updated last month
• tlemmin / glycosylator
  Framework for the rapid modeling glycans and glycoproteins.
  ☆29Updated last year