Alternatives and similar repositories for QuickVina2-GPU

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

• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆14Updated 4 years ago
• Zuttergutao / GMXAnalysis
  For the purpose of post progressing of MD carried by gromacs
  ☆22Updated 3 months ago
• dkoes / GNINA-1.0
  Paper for release
  ☆11Updated 4 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆18Updated last month
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆17Updated 6 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• PhilippJunk / homelette
  A unified and modular interface to homology modelling software
  ☆11Updated 2 years ago
• Team-SKI / snippets
  Snippets for common computer-aided drug design tasks
  ☆10Updated 8 years ago
• iwatobipen / vs_vina
  ☆13Updated 4 years ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 3 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• hocinebib / PisaPy
  Python code to automatically interact with PDBePISA web server
  ☆11Updated 3 years ago
• Saminakausar / Automated-framework-for-QSAR-model-building
  ☆10Updated 6 years ago
• mokarrom / mpi-vina
  An MPI based parallel implementation of Autodock Vina
  ☆16Updated 5 years ago
• BeckResearchLab / PyMolSAR
  A Python toolkit to compute molecular features and predict activities and properties of small molecules
  ☆21Updated 3 years ago
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆21Updated last month
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆35Updated 2 years ago
• arashtayyebi / prediction-of-water-solubility
  Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"
  ☆13Updated 2 years ago
• pritampanda15 / Molecular-Dynamics
  Self explained tutorial for molecular dynamics simulation using gromacs
  ☆34Updated 11 months ago
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆15Updated last year
• HPCLab-933 / Vina-CUDA
  Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics
  ☆38Updated 4 months ago
• sarisabban / Notes
  Personal Notes
  ☆23Updated 3 months ago
• NRGlab / FlexAID
  Flexible Artificial Intelligence Docking
  ☆17Updated 2 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆21Updated 4 years ago
• lmdu / dockey
  an integrated tool for molecular docking and virtual screening
  ☆73Updated 4 months ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 5 months ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated 2 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• Team-SKI / Publications
  Supporting Information of Publications
  ☆14Updated 6 years ago
• nadinulrich / log_P_prediction
  ☆13Updated 4 years ago