Alternatives and similar repositories for DP5

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

• Jerkwin / gmxtools
  tools for GROMACS
  ☆110Updated this week
• luancarvalhomartins / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆188Updated last year
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆110Updated 2 weeks ago
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆115Updated 5 years ago
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆213Updated 4 months ago
• Electrostatics / pdb2pqr
  PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
  ☆144Updated 2 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.
  ☆255Updated 2 months ago
• openmm / openmmforcefields
  CHARMM and AMBER forcefields for OpenMM (with small molecule support)
  ☆291Updated last week
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆227Updated 3 months ago
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆143Updated last week
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆72Updated 8 months ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆171Updated 5 years ago
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆168Updated last month
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆149Updated 3 weeks ago
• MobleyLab / alchemical-analysis
  An open tool implementing some recommended practices for analyzing alchemical free energy calculations
  ☆127Updated 11 months ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆295Updated last year
• scanberg / viamd
  Visual Interactive Analysis of Molecular Dynamics
  ☆288Updated last week
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆187Updated 3 months ago
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆115Updated 2 weeks ago
• dockstring / dockstring
  A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…
  ☆169Updated 3 weeks ago
• bayer-science-for-a-better-life / Img2Mol
  ☆116Updated 2 years ago
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆410Updated this week
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆202Updated 8 months ago
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆151Updated 4 months ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆215Updated last month
• UCLCheminformatics / ScaffoldGraph
  ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…
  ☆180Updated 3 years ago
• dreadlesss / rdkit_summary
  rdkit总结与实践
  ☆229Updated 4 years ago
• QVina / qvina
  Accurately speed up AutoDock Vina
  ☆149Updated last year
• tubiana / TTClust
  clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...)
  ☆112Updated last year
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆176Updated 3 months ago