Alternatives and similar repositories for pipelines

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

• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 8 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 7 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆34Updated 3 years ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated 2 weeks ago
• suneelbvs / rdkit_tutorials
  rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
  ☆37Updated 3 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
• ljmartin / dockop
  faster docking
  ☆19Updated 4 years ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆29Updated last year
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆63Updated 5 years ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆45Updated 2 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆69Updated 4 years ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated 4 months ago
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆37Updated last year
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• jku-vds-lab / cime
  cime public repository
  ☆32Updated 3 years ago
• cinfony / cinfony
  Simplified and standard interface to a number of cheminformatics toolkits
  ☆88Updated 2 years ago
• PatWalters / workshop
  ☆66Updated 4 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆49Updated 5 years ago
• dkoes / qsar-tools
  Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data
  ☆62Updated 3 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 4 years ago
• chembl / chembl_beaker
  RDKit wrapper
  ☆50Updated last year
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆59Updated this week
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆47Updated 4 months ago
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 5 months ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆67Updated 4 years ago
• duerrsimon / substrate-scope-plot
  ☆55Updated 8 months ago
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆93Updated 2 months ago
• rdkit / PREFER
  ☆29Updated 2 years ago
• tuffery / Frog2
  2D/3D generation for small compounds
  ☆33Updated 6 years ago