Alternatives and similar repositories for smilite

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

• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 9 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆97Updated 3 months ago
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆112Updated 4 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆92Updated 5 months ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆120Updated 2 years ago
• asad / ReactionDecoder
  Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
  ☆79Updated 4 years ago
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 5 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆77Updated last year
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆97Updated 2 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆28Updated 8 years ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆180Updated 5 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆161Updated this week
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆152Updated 2 weeks ago
• gorgitko / molminer
  Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
  ☆47Updated 5 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆130Updated 5 months ago
• greglandrum / RSC_OpenScience_Standardization_202104
  Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
  ☆53Updated 4 years ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆105Updated 8 months ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• mcs07 / CIRpy
  Python wrapper for the NCI Chemical Identifier Resolver (CIR)
  ☆132Updated last year
• pandegroup / reaction_prediction_seq2seq
  ☆67Updated 6 years ago
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆155Updated 2 years ago
• XinhaoLi74 / Hierarchical-QSAR-Modeling
  ☆32Updated 6 years ago
• keiserlab / e3fp
  3D molecular fingerprints
  ☆140Updated last year
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated 2 months ago
• samuelmurail / docking_py
  Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily…
  ☆67Updated last year
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆92Updated 4 years ago