Alternatives and similar repositories for rdeditor

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

• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆149Updated 10 months ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆175Updated 5 years ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆227Updated 2 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆130Updated last month
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆140Updated last year
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆206Updated last month
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆199Updated 9 months ago
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆150Updated 2 years ago
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆147Updated last week
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆78Updated 3 months ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆160Updated 2 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆154Updated last month
• HFooladi / GNNs-For-Chemists
  Implementations of different GNNs from scratch for chemists
  ☆153Updated last month
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆181Updated 5 months ago
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆193Updated 2 months ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆98Updated last week
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆207Updated 2 weeks ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆117Updated 2 months ago
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆142Updated last week
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆221Updated last week
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆112Updated last week
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆87Updated last week
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆48Updated 2 months ago
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆92Updated 2 years ago
• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆256Updated last year
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆183Updated last week
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆78Updated last year
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆126Updated this week
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆130Updated 2 weeks ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆68Updated last week