Alternatives and similar repositories for CheTo:

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

• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆32Updated last year
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated last year
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 5 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆40Updated 9 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆36Updated 9 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆19Updated 4 years ago
• samplchallenges / SAMPL6
  Challenge inputs, details, and results for the SAMPL6 series of challenges
  ☆53Updated 2 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆39Updated 8 years ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆30Updated 4 years ago
• tsudalab / ChemGE
  Population-based De Novo Molecule Generation, Using Grammatical Evolution
  ☆40Updated 3 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 4 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆44Updated 2 years ago
• rdkit / UGM_2019
  ☆16Updated 5 years ago
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆26Updated 3 years ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆43Updated last year
• choderalab / neutromeratio
  Tautomer ratios in solution
  ☆25Updated 3 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• rdkit / PREFER
  ☆28Updated last year
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆87Updated last year
• mahendra-awale / medchem_moves
  ☆44Updated 4 years ago
• PatWalters / solubility
  An implementation of Delaney's ESOL method using the RDKit
  ☆55Updated 6 years ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆71Updated 11 months ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆16Updated 4 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 4 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated 3 weeks ago
• czodrowskilab / 5minfame
  ☆35Updated last year
• ljmartin / dockop
  faster docking
  ☆19Updated 3 years ago