Alternatives and similar repositories for ORDerly

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

• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆141Updated 4 months ago
• ghiander / novana
  Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 2 months ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆68Updated last month
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆78Updated last year
• coleygroup / Graph2SMILES
  ☆55Updated last year
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆139Updated last year
• connorcoley / scscore
  ☆96Updated 4 years ago
• snu-micc / LocalMapper
  Precise reaction atom-to-atom mapping with LocalMapper
  ☆36Updated last month
• open-reaction-database / ord-schema
  Schema for the Open Reaction Database
  ☆102Updated last week
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆73Updated 9 months ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆215Updated last month
• molecularinformatics / Computational-ADME
  ☆86Updated last year
• otori-bird / retrosynthesis
  ☆69Updated 11 months ago
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆168Updated 2 months ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆46Updated last month
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 4 months ago
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆182Updated last week
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆66Updated last month
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆61Updated 11 months ago
• ninglab / G2Retro
  ☆20Updated last year
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆122Updated 6 months ago
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆181Updated 3 months ago
• kaist-amsg / LocalRetro
  Retrosynthesis prediction for organic molecules with LocalRetro
  ☆94Updated 11 months ago
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆70Updated last month
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆75Updated this week
• coleygroup / sparrow
  ☆51Updated 3 weeks ago
• rxn4chemistry / rxnfp
  Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…
  ☆176Updated 3 years ago
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆173Updated last week
• chython / chython
  Library for processing molecules and reactions in python way
  ☆44Updated 2 weeks ago