Alternatives and similar repositories for AZOrange

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

• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 7 months ago
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆17Updated last year
• iwatobipen / chemo_info
  ☆31Updated 2 months ago
• rdkit / UGM_2019
  ☆16Updated 5 years ago
• rdkit / OCEAN
  OCEAN - Optimized Cross rEActivity estimatioN
  ☆11Updated 5 years ago
• insilichem / gaudi
  GaudiMM: A modular optimization platform for molecular design
  ☆32Updated last year
• ram-compbio / CANDO
  Computational Analysis of Novel Drug Opportunities
  ☆36Updated last month
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆17Updated 5 years ago
• Becksteinlab / propkatraj
  pKa estimates for proteins using an ensemble approach
  ☆28Updated 8 months ago
• pandegroup / vs-utils
  Virtual screening and cheminformatics utilities
  ☆14Updated 9 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆21Updated 2 months ago
• 3D-e-Chem / 3D-e-Chem-VM
  Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows
  ☆16Updated 6 years ago
• sirimullalab / openDMPK
  Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…
  ☆26Updated 3 years ago
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• jairesdesousa / guidemol
  GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit
  ☆12Updated last year
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆23Updated 4 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated last month
• NRGlab / ENCoM
  Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)
  ☆14Updated 7 years ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆37Updated 3 months ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated last year
• dkoes / shapedb
  ☆16Updated 6 years ago
• fkaiserbio / fit3d
  🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…
  ☆11Updated 6 years ago
• skearnes / pubchem-utils
  Utilities for interacting with PubChem
  ☆17Updated 10 years ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year