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.
  ☆44Updated last month
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆29Updated 2 months ago
• apahl / rdkit_ipynb_tools
  RDKit Tools for the IPython Notebook
  ☆46Updated 6 years ago
• dahvida / NP_Fingerprints
  Scripts to calculate fingerprints and simiilarity matrices for natural product databases.
  ☆17Updated last year
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆64Updated 5 years ago
• UnixJunkie / smi2sdf3d
  3D diverse conformers generation using rdkit
  ☆24Updated 3 years ago
• wolberlab / pyrod
  PyRod - Tracing water molecules in molecular dynamics simulations
  ☆47Updated 4 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 5 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆43Updated last month
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• choderalab / openmoltools
  An open set of tools for automating tasks relating to small molecules
  ☆64Updated 3 years ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆95Updated 2 weeks ago
• protocaller / ProtoCaller
  Full automation of relative protein-ligand binding free energy calculations in GROMACS
  ☆44Updated 3 years ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆40Updated last year
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆26Updated 2 months ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆42Updated last year
• protwis / protwis
  Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…
  ☆37Updated last week
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆39Updated 11 months ago
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆113Updated last year
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆39Updated 8 years ago
• apahl / mol_frame
  Chemical Structure Handling for Pandas DataFrames
  ☆33Updated 2 years ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆34Updated last year
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆35Updated 3 weeks ago
• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆31Updated 6 years ago
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆15Updated 4 months ago
• czodrowskilab / VSFlow
  ☆85Updated last month
• iwatobipen / chemo_info
  ☆32Updated 4 years ago
• dfhahn / protein-ligand-benchmark-analysis
  ☆21Updated last year