Alternatives and similar repositories for partialsmiles

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

• ljmartin / dockop
  faster docking
  ☆19Updated 4 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 6 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• LindeSchoenmaker / SMILES-corrector
  ☆28Updated last year
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆45Updated 3 months ago
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated last year
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆42Updated last year
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• rdkit / benchmarking_platform
  ☆29Updated 3 years ago
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆43Updated 3 months ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• insilichem / gaudi
  GaudiMM: A modular optimization platform for molecular design
  ☆32Updated last year
• rdkit / PREFER
  ☆29Updated 2 years ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆91Updated 3 weeks ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆56Updated 2 weeks ago
• czodrowskilab / 5minfame
  ☆38Updated 2 years ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆45Updated 2 years ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• rdkit / AutomatedSeriesClassification
  ☆24Updated 4 years ago
• RPirie96 / RGMolSA
  ☆35Updated last year
• knu-lcbc / MolForge
  ☆31Updated 2 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆34Updated 2 years ago
• gnina / SolTranNet
  Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility
  ☆39Updated 4 years ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated 11 months ago
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆24Updated last year
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆21Updated 2 years ago
• KramerChristian / NonadditivityAnalysis
  Code to analyze SAR datasets for Nonadditivity
  ☆19Updated 4 years ago
• jku-vds-lab / cime
  cime public repository
  ☆33Updated 2 years ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆86Updated 3 months ago
• nextmovesoftware / smilesreading
  SMILES reading benchmark
  ☆16Updated 7 years ago