Alternatives and similar repositories for DP5

Users that are interested in DP5 are comparing it to the libraries listed below

• luancarvalhomartins / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆194Updated 2 years ago
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆236Updated 4 months ago
• Jerkwin / gmxtools
  tools for GROMACS
  ☆124Updated 3 months ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆127Updated last week
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆181Updated 4 months ago
• Electrostatics / pdb2pqr
  PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
  ☆155Updated 7 months ago
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆131Updated 2 weeks ago
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆82Updated last year
• DrrDom / crem
  CReM: chemically reasonable mutations framework
  ☆247Updated last week
• ASKCOS / ASKCOS
  Software package for computer aided synthesis planning
  ☆241Updated last year
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆222Updated last month
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆160Updated 2 months ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆227Updated 2 months ago
• ecrl / padelpy
  A Python wrapper for PaDEL-Descriptor software
  ☆218Updated 5 months ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆149Updated 10 months ago
• Valdes-Tresanco-MS / gmx_MMPBSA
  gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
  ☆275Updated 3 months ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆176Updated 5 years ago
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆161Updated 9 months ago
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆128Updated 6 years ago
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆132Updated last year
• rdkit / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆253Updated 5 months ago
• tubiana / TTClust
  clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
  ☆118Updated last year
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆198Updated 8 months ago
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆223Updated last month
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆204Updated last month
• openmm / openmmforcefields
  CHARMM and AMBER forcefields for OpenMM (with small molecule support)
  ☆326Updated this week
• MCompChem / fep-benchmark
  Benchmark set for relative free energy calculations.
  ☆116Updated last year
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆109Updated 3 months ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆320Updated last year
• rdkit / rdkit-tutorials
  Tutorials to learn how to work with the RDKit
  ☆300Updated 2 years ago