Alternatives and similar repositories for SailVina

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

• MengwuXiao / GetBox-PyMOL-Plugin
  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
  ☆100Updated 6 years ago
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆81Updated 5 months ago
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆82Updated last year
• guyujun / pyrosetta-basic
  ☆173Updated 3 years ago
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆189Updated this week
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆208Updated 2 months ago
• Computer-Aided-Drug-Design / AIDD-Tutorial-Files
  AIDD Tutorial Files，人工智能药物设计教程相关文件
  ☆16Updated 2 years ago
• twopin / CAMP
  predicting peptide-protein interactions
  ☆134Updated last year
• DweipayanG / GROMACS-Protein-Ligand
  ☆54Updated 2 years ago
• haddocking / prodigy
  Predict the binding affinity of protein-protein complexes from structural data
  ☆146Updated 2 weeks ago
• ProteinDesignLab / protein-design-tutorials
  Tutorials, cheat sheets, and other resources for computational methods for protein design.
  ☆119Updated 2 years ago
• Wang-Lin-boop / GetPDB
  Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…
  ☆42Updated last year
• KailiWang1 / DeepDTAF
  a deep learning architecture for protein-ligand binding affinity prediction
  ☆76Updated last year
• Computer-Aided-Drug-Design / CADD-tutorial
  CADD（计算机辅助药物设计）学习资料
  ☆62Updated 2 years ago
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆226Updated 5 months ago
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆51Updated last month
• DeltaGroupNJUPT / Vina-GPU-2.0
  Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
  ☆112Updated last year
• DeltaGroupNJUPT / Vina-GPU-2.1
  Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
  ☆124Updated 11 months ago
• THU-ATOM / DrugCLIP_screen_pipeline
  A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger
  ☆17Updated last year
• lifanchen-simm / transformerCPI2.0
  Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…
  ☆71Updated 2 years ago
• Computer-Aided-Drug-Design / AIDD-Tutorial
  Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程
  ☆48Updated 2 years ago
• Kortemme-Lab / flex_ddG_tutorial
  ☆124Updated 3 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆72Updated 5 months ago
• CyberCatQ / pyCADD
  A python package for computer-aid drug design.
  ☆36Updated 3 weeks ago
• JeffSHF / ColabDock
  Code for ColabDock paper
  ☆146Updated 4 months ago
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆54Updated this week
• cbalbin-bio / pymol-color-alphafold
  PyMOL extension to color AlphaFold structures by confidence (pLDDT).
  ☆111Updated last year
• lmdu / dockey
  an integrated tool for molecular docking and virtual screening
  ☆72Updated 3 months ago
• rifdock / rifdock
  Rifdock Library for Conformational Search
  ☆161Updated 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 2 months ago