Alternatives and similar repositories for VFLP

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

• czodrowskilab / VSFlow
  ☆96Updated 7 months ago
• katritchlab / V-SYNTHES
  ☆78Updated 3 years ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆54Updated 3 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆123Updated 2 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆108Updated 5 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 2 years ago
• Valdes-Tresanco-MS / AMDock-win
  (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆67Updated 3 years ago
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆76Updated last year
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆73Updated 6 months ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 6 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆35Updated 2 months ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆67Updated 4 months ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 4 years ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆79Updated last month
• tdudgeon / simple-simulate-complex
  Simple protein-ligand complex simulation with OpenMM
  ☆89Updated 2 years ago
• fimrie / DeepCoy
  ☆30Updated last year
• PKUGaoGroup / DSDP
  Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …
  ☆63Updated 3 months ago
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆51Updated 2 months ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆29Updated this week
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆51Updated 4 years ago
• BrooksResearchGroup-UM / pyCHARMM-Workshop
  pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…
  ☆71Updated last week
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆81Updated 6 months ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆38Updated 3 months ago
• jamesgleave / DeepDockingGUI
  ☆37Updated 2 years ago
• CBDD / rDock
  rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…
  ☆59Updated 7 months ago
• AstraZeneca / peptide-tools
  Collection of tools to calculate properties of natural or synthetic peptides and proteins.
  ☆41Updated 3 weeks ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆81Updated 3 years ago
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆59Updated 2 months ago