Alternatives and similar repositories for awesome-AIDD:

Users that are interested in awesome-AIDD are comparing it to the libraries listed below

• Computer-Aided-Drug-Design / AIDD-Tutorial-Files
  AIDD Tutorial Files，人工智能药物设计教程相关文件
  ☆13Updated 2 years ago
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆73Updated this week
• ai4protein / Pro-Prime
  ☆52Updated 2 months ago
• CAODH / EquiScore
  ☆70Updated last year
• biomed-AI / PROTAC-RL
  ☆60Updated 2 years ago
• 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…
  ☆62Updated last year
• bcov77 / silent_tools
  A bunch of shell utilities for dealing the silent files
  ☆58Updated 2 weeks ago
• ChakradharG / PeptideBERT
  Transformer Based Language Model for Peptide Property Prediction
  ☆42Updated 8 months ago
• guyujun / pyrosetta-basic
  ☆157Updated 3 years ago
• Kortemme-Lab / flex_ddG_tutorial
  ☆105Updated 2 years ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆160Updated 2 weeks ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆114Updated 10 months ago
• ProteinDesignLab / protein-design-tutorials
  Tutorials, cheat sheets, and other resources for computational methods for protein design.
  ☆110Updated last year
• hefeda / design_tools
  A compilation of deep learning methods for protein design
  ☆97Updated 2 years ago
• prihoda / AbNumber
  Convenience Python APIs for antibody numbering using ANARCI
  ☆94Updated 2 months ago
• quantaosun / Zinc-Million
  Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready f…
  ☆11Updated last year
• ai4protein / Pro-FSFP
  Pro-FSFP: Few-Shot Protein Fitness Prediction
  ☆79Updated 2 months ago
• Graylab / FLAb
  Fitness landscapes for antibodies
  ☆67Updated 2 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆32Updated 9 months ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆102Updated 5 months ago
• samsledje / ConPLex_dev
  ☆48Updated last year
• JeffSHF / ColabDock
  Code for ColabDock paper
  ☆137Updated 5 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.
  ☆100Updated last year
• Computer-Aided-Drug-Design / CADD-tutorial
  CADD（计算机辅助药物设计）学习资料
  ☆47Updated last year
• zhanghaicang / carbonmatrix_public
  ☆111Updated 3 weeks ago
• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆148Updated last year
• dahjan / DMS_opt
  ☆68Updated 4 years ago
• TencentAI4S / tfold
  open source code for Tencent tFold
  ☆95Updated 3 weeks ago
• Liuxg16 / GeoPPI
  ☆82Updated 2 years ago