Alternatives and similar repositories for QSAR-ready

Users that are interested in QSAR-ready are comparing it to the libraries listed below

• PatWalters / chembl_sim
  ChEMBL Similarity Search
  ☆17Updated 4 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• iwatobipen / chemo_info
  ☆31Updated last month
• CBDD / pyMDmix
  ☆13Updated 3 weeks ago
• PatWalters / sfi
  An implementation of the Solubility Forecast Index (SFI)
  ☆21Updated 2 years ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 5 years ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• inpacdb / POAP
  Parallelized Open Babel & Autodock suite Pipeline
  ☆24Updated 7 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆29Updated 4 months ago
• DrrDom / spci
  Tool for mining structure-property relationships from chemical datasets
  ☆16Updated 7 months ago
• RPirie96 / RGMolSA
  ☆34Updated last year
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆53Updated 2 years ago
• labbit-eu / transport_tools
  a library for massive analyses of internal voids in biomolecules and ligand transport through them
  ☆8Updated 2 years ago
• vogt-m / ccbmlib
  Modeling Tanimoto distributions for RDKit
  ☆17Updated 5 years ago
• vanderkamp / enlighten2
  Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems
  ☆19Updated 3 years ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆20Updated 5 years ago
• OpenEye-Contrib / TautEnum
  Program to create tautomers and ionisation states relevant to physiological pH.
  ☆10Updated 8 years ago
• jrhaberstroh / gromacs-scripts
  A collection of scripts which I have developed to use GROMACS, for both compute clusters and post-simulation analysis.
  ☆11Updated 10 years ago
• mobiochem / MoBioTools
  A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…
  ☆29Updated last year
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆26Updated 3 months ago
• PatWalters / practicalcheminformatics
  ☆27Updated 3 years ago
• jku-vds-lab / cime
  cime public repository
  ☆33Updated 2 years ago
• otayfuroglu / deepQM
  ☆28Updated last month
• Team-SKI / snippets
  Snippets for common computer-aided drug design tasks
  ☆10Updated 7 years ago
• leeping / OpenMM-MD
  Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations
  ☆28Updated last year
• ambrishroy / LIGSIFT
  LIGSIFT: An open-source tool for ligand structural alignment and virtual screening
  ☆15Updated 7 years ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆17Updated 6 years ago
• BenderGroup / PIDGINv4
  PIDGINv4
  ☆11Updated 3 years ago
• nextmovesoftware / smilesreading
  SMILES reading benchmark
  ☆16Updated 6 years ago