Alternatives and similar repositories for rdkit_blog

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

• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆150Updated last year
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆155Updated 2 years ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆232Updated 5 months ago
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆215Updated 3 weeks ago
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆187Updated 2 weeks ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆180Updated 5 years ago
• connorcoley / scscore
  ☆115Updated 5 years ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆203Updated last year
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆97Updated 3 months ago
• rdkit / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆272Updated last week
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆112Updated 4 years ago
• PatWalters / chem_tutorial
  ☆91Updated 4 years ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆137Updated 2 months ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆161Updated 2 weeks ago
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆167Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆111Updated 8 months ago
• CDDLeiden / DrugEx
  De Novo Drug Design with RNNs and Transformers
  ☆165Updated 2 weeks ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆92Updated 4 years ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆62Updated 6 months ago
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆213Updated last week
• MolecularAI / deep-molecular-optimization
  Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
  ☆153Updated 2 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆130Updated 5 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆129Updated 2 years ago
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆229Updated 2 months ago
• DrrDom / rdkit-scripts
  rdkit scripts making life easier
  ☆77Updated last month
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆200Updated 3 months ago
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆78Updated last year
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆84Updated 3 months ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆167Updated last week