Alternatives and similar repositories for khan:

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

• rasbt / siteinterlock
  A novel approach to pose selection in protein-ligand docking based on graph theory.
  ☆20Updated 8 years ago
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆52Updated 3 years ago
• choderalab / assaytools
  Modeling and Bayesian analysis of fluorescence and absorbance assays.
  ☆18Updated 3 years ago
• choderalab / gimlet
  Graph Inference on MoLEcular Topology
  ☆26Updated 2 years ago
• choderalab / pinot
  Probabilistic Inference for NOvel Therapeutics
  ☆15Updated 3 years ago
• rasbt / screenlamp
  screenlamp is a Python toolkit for hypothesis-driven virtual screening
  ☆23Updated 7 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• pandegroup / vs-utils
  Virtual screening and cheminformatics utilities
  ☆14Updated 9 years ago
• rdkit / OCEAN
  OCEAN - Optimized Cross rEActivity estimatioN
  ☆11Updated 4 years ago
• swansonk14 / chemprop-factor
  Matrix factorization and deep learning for molecular property prediction
  ☆13Updated 6 years ago
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 6 years ago
• GPCRviz / flareplot
  Visualization tool for changing networks
  ☆19Updated 6 years ago
• skearnes / pubchem-utils
  Utilities for interacting with PubChem
  ☆18Updated 10 years ago
• jensengroup / RegioSQM
  See http://dx.doi.org/10.1039/C7SC04156J for more details
  ☆11Updated last year
• mdtraj / nma
  Normal Mode Analysis for Macromolecules
  ☆17Updated 8 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆21Updated 2 weeks ago
• lich-uct / molpher-lib
  C++/Python Library for Systematic Chemical Space Exploration
  ☆19Updated 3 years ago
• rdkit / UGM_2019
  ☆16Updated 5 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• WahlOya / Tautobase
  Contains relevant project files to publicly available tautomer database "Tautobase"
  ☆18Updated 2 years ago
• maclandrol / smexplainer
  Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)
  ☆16Updated 3 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• markovmodel / adaptivemd
  A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
  ☆18Updated last year
• capoe / libpqr
  Bias-controlled 3D generative framework for structure-based ligand design
  ☆17Updated 2 years ago
• PatWalters / dissecting_hype
  Code to accompany my blog post "Dissecting the Hype With Cheminformatics"
  ☆11Updated 5 years ago
• czodrowskilab / Multiprotic-pKa-Processing
  ☆14Updated 2 years ago
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆21Updated 4 years ago
• Shen-Lab / BAL
  Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking
  ☆13Updated 3 years ago
• deepchem / deepdock
  An experimental package for deep learning for molecular docking
  ☆20Updated 5 years ago
• msmbuilder / msmexplorer
  Data visualizations for biomolecular dynamics
  ☆18Updated 6 years ago