mcs07 / CIRpy

Related projects ⓘ

Alternatives and complementary repositories for CIRpy

• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆87Updated last year
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆161Updated 4 years ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆45Updated 6 years ago
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆112Updated 6 years ago
• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆243Updated 7 months ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆206Updated last year
• Mishima-syk / psikit
  psi4+RDKit
  ☆97Updated last year
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆121Updated 3 weeks ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆181Updated last week
• cbouy / mols2grid
  Interactive molecule viewer for 2D structures
  ☆215Updated 10 months ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆165Updated this week
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆93Updated 8 months ago
• UCLCheminformatics / ScaffoldGraph
  ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…
  ☆167Updated 2 years ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆116Updated 4 months ago
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆101Updated 3 weeks ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆39Updated 7 years ago
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆130Updated last year
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆134Updated 2 months ago
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆108Updated 3 years ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆107Updated last year
• whitead / molbloom
  Molecular bloom filter tool
  ☆112Updated 7 months ago
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆58Updated last year
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆86Updated last year
• PatWalters / chem_tutorial
  ☆89Updated 2 years ago
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆194Updated 2 months ago
• rinikerlab / lightweight-registration
  ☆64Updated 3 weeks ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆63Updated 3 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 4 years ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆109Updated 5 years ago
• chembl / FPSim2
  Simple package for fast molecular similarity searches
  ☆113Updated 2 weeks ago