Alternatives and similar repositories for SynRBL

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

• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆115Updated last month
• molecularinformatics / Computational-ADME
  ☆97Updated last year
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆182Updated 6 months ago
• HFooladi / GNNs-For-Chemists
  Implementations of different GNNs from scratch for chemists
  ☆159Updated last week
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 9 months ago
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆51Updated 4 months ago
• coleygroup / sparrow
  ☆60Updated 5 months ago
• molecule-generator-collection / ChemTSv2
  Refined and extended version of ChemTS
  ☆120Updated 4 months ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆64Updated last year
• isayevlab / AIMNet2
  ☆154Updated last year
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆230Updated 4 months ago
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆77Updated 7 months ago
• molecularinformatics / roshambo
  ☆91Updated last year
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆59Updated last month
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆88Updated 8 months ago
• MolecularAI / PaRoutes
  Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.
  ☆83Updated last year
• MCompChem / fep-benchmark
  Benchmark set for relative free energy calculations.
  ☆117Updated last year
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆43Updated 4 months ago
• chython / chython
  Library for processing molecules and reactions in python way
  ☆46Updated last week
• durrantlab / gypsum_dl
  Open-source tool to generate 3D-ready small molecules for virtual screening
  ☆72Updated last month
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆210Updated this week
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆79Updated 2 years ago
• openforcefield / protein-ligand-benchmark
  Protein-Ligand Benchmark Dataset for Free Energy Calculations
  ☆211Updated last year
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆153Updated 2 years ago
• PatWalters / TS
  Thompson Sampling
  ☆78Updated 7 months ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆202Updated 10 months ago
• openmm / spice-dataset
  A collection of QM data for training potential functions
  ☆187Updated 10 months ago
• aspuru-guzik-group / stoned-selfies
  This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…
  ☆131Updated last year
• josejimenezluna / delfta
  Δ-QML for medicinal chemistry
  ☆105Updated 7 months ago
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆106Updated last week