Alternatives and similar repositories for rdeditor

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

• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆232Updated 4 months ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆150Updated last year
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆177Updated 5 years ago
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆213Updated 3 weeks ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆202Updated 11 months ago
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆151Updated last week
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆153Updated 2 years ago
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆210Updated last week
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆197Updated last month
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆81Updated last month
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆159Updated 3 months ago
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆182Updated 7 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆133Updated last month
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆212Updated 2 weeks ago
• HFooladi / GNNs-For-Chemists
  Implementations of different GNNs from scratch for chemists
  ☆159Updated this week
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆166Updated 4 months ago
• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆258Updated last year
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆115Updated 2 months ago
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆60Updated 2 years ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆106Updated last week
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆118Updated 2 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆139Updated this week
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆91Updated last week
• GHeinzelmann / BAT.py
  The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…
  ☆218Updated last month
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆231Updated 2 weeks ago
• cbouy / mols2grid
  Interactive molecule viewer for 2D structures
  ☆241Updated this week
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆59Updated last month
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆83Updated 3 weeks ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆127Updated 4 months ago
• MCompChem / fep-benchmark
  Benchmark set for relative free energy calculations.
  ☆117Updated last year