Alternatives and similar repositories for QuickVina2-GPU

Users that are interested in QuickVina2-GPU are comparing it to the libraries listed below

• Zuttergutao / GMXAnalysis
  For the purpose of post progressing of MD carried by gromacs
  ☆22Updated 2 weeks ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆17Updated 6 years ago
• HPCLab-933 / Vina-CUDA
  Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics
  ☆31Updated 3 weeks ago
• Novartis / MoaBox
  A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly
  ☆17Updated 5 years ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 3 years ago
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆13Updated 4 years ago
• quantaosun / Ambertools-OpenMM-MD
  Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…
  ☆35Updated 2 months ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• ohuelab / MEGADOCK-on-Colab
  MEGADOCK on Google Colaboratory
  ☆17Updated last year
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago
• zqfang / drugai
  Graph Neural Networks for Drug Efficacy Prediction
  ☆11Updated 2 years ago
• Hoecker-Lab / atligator
  Analysis and design of protein-protein or protein-peptide interactions based on atlas database.
  ☆15Updated 2 years ago
• larngroup / De-Novo-Drug-Design
  Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design
  ☆13Updated 4 years ago
• hocinebib / PisaPy
  Python code to automatically interact with PDBePISA web server
  ☆11Updated 3 years ago
• VirtualFlow / VFTools
  ☆31Updated last year
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆15Updated 2 weeks ago
• Wang-Lin-boop / PPI-Miner
  A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design
  ☆19Updated 5 months ago
• iwatobipen / vs_vina
  ☆13Updated 3 years ago
• XiaohuaZhangLLNL / VinaLC
  A parallel molecular docking program based on AutoDock Vina
  ☆19Updated 3 weeks ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated last month
• AspirinCode / protein-science
  A collection of useful tutorials for Protein Science
  ☆18Updated 10 years ago
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆18Updated 5 months ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆27Updated 3 years ago
• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆44Updated 4 years ago
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆15Updated last year
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• PhilippJunk / homelette
  A unified and modular interface to homology modelling software
  ☆11Updated last year
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated last month
• mungpeter / RAMAplot
  Generate Ramachandran plots for single PDB structure and as heatmap for MD trajectory
  ☆9Updated 3 years ago