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.
  ☆104Updated 6 years ago
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆81Updated 6 months ago
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆83Updated this week
• Computer-Aided-Drug-Design / AIDD-Tutorial-Files
  AIDD Tutorial Files，人工智能药物设计教程相关文件
  ☆17Updated 3 years ago
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆198Updated last week
• haddocking / prodigy
  Predict the binding affinity of protein-protein complexes from structural data
  ☆150Updated 3 weeks ago
• DweipayanG / GROMACS-Protein-Ligand
  ☆57Updated 3 years ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆214Updated last month
• Computer-Aided-Drug-Design / CADD-tutorial
  CADD（计算机辅助药物设计）学习资料
  ☆70Updated 2 years ago
• guyujun / pyrosetta-basic
  ☆174Updated 4 years ago
• Computer-Aided-Drug-Design / AIDD-Tutorial
  Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程
  ☆52Updated 3 years ago
• ProteinDesignLab / protein-design-tutorials
  Tutorials, cheat sheets, and other resources for computational methods for protein design.
  ☆120Updated 2 years ago
• DeltaGroupNJUPT / Vina-GPU-2.1
  Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
  ☆126Updated last year
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆52Updated 2 months ago
• twopin / CAMP
  predicting peptide-protein interactions
  ☆135Updated last year
• KailiWang1 / DeepDTAF
  a deep learning architecture for protein-ligand binding affinity prediction
  ☆76Updated last year
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆74Updated 6 months ago
• lmdu / dockey
  an integrated tool for molecular docking and virtual screening
  ☆73Updated 4 months ago
• 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 2 years ago
• cbalbin-bio / pymol-color-alphafold
  PyMOL extension to color AlphaFold structures by confidence (pLDDT).
  ☆114Updated last year
• QVina / qvina
  Accurately speed up AutoDock Vina
  ☆155Updated last year
• liyigerry / gmx
  molecular dynamics simulation and analysis. 分子动力学模拟和分析。
  ☆41Updated 6 years ago
• Kortemme-Lab / flex_ddG_tutorial
  ☆127Updated 3 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…
  ☆44Updated last year
• daiyun02211 / awesome-AIDD
  Awesome AI-aided Drug Discovery
  ☆28Updated 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…
  ☆74Updated 2 years ago
• ZeroDesigner / AwsomeCADD
  好的CADD教程，资源总结
  ☆25Updated last year
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆229Updated last month
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆129Updated last year
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆55Updated last month