Alternatives and similar repositories for ReactionDecoder:

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

• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆86Updated 4 months ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆70Updated 3 years ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆113Updated last year
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆39Updated 8 years ago
• brsynth / RetroPathRL
  Reinforcement Learning based bioretrosynthesis tool
  ☆51Updated 8 months ago
• czodrowskilab / VSFlow
  ☆86Updated last year
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆107Updated last week
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆61Updated 8 months ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 4 years ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆68Updated 8 months ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆103Updated last month
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆73Updated last month
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆111Updated last year
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆44Updated 2 weeks ago
• connorcoley / scscore
  ☆95Updated 4 years 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 4 months ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated last year
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 4 years ago
• oxpig / DeLinker
  ☆121Updated 2 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆73Updated last year
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆167Updated 4 years ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆15Updated this week
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆83Updated 5 months ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆67Updated 9 months ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆87Updated last year
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆94Updated this week
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆59Updated 2 years ago
• RyanZR / labodock
  LABODOCK: A Colab-Based Molecular Docking Tools
  ☆44Updated 2 weeks ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago