Alternatives and similar repositories for CADD-tutorial:

Users that are interested in CADD-tutorial 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
  ☆14Updated 2 years ago
• daiyun02211 / awesome-AIDD
  Awesome AI-aided Drug Discovery
  ☆19Updated 10 months ago
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆75Updated 2 weeks ago
• MengwuXiao / GetBox-PyMOL-Plugin
  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
  ☆91Updated 5 years ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆104Updated 5 months ago
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆43Updated 3 months ago
• ZeroDesigner / AwsomeCADD
  好的CADD教程，资源总结
  ☆25Updated last year
• CAODH / EquiScore
  ☆71Updated last year
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆85Updated 2 weeks ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆68Updated 3 weeks ago
• bytedance / Protenix-Dock
  An accurate and trainable end-to-end protein-ligand docking framework
  ☆81Updated last month
• 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, …
  ☆57Updated 5 months ago
• ChakradharG / PeptideBERT
  Transformer Based Language Model for Peptide Property Prediction
  ☆45Updated 8 months ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆112Updated 10 months ago
• biomed-AI / PROTAC-RL
  ☆62Updated 2 years ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years 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
• guyuehuo / opendock
  ☆46Updated 4 months ago
• ETHmodlab / dragonfly_gen
  De novo drug design with deep interactome learning
  ☆33Updated 10 months ago
• ToHanwei / Rosetta-Chinese
  Rosetta翻译
  ☆21Updated 2 years ago
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆50Updated 3 years ago
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆72Updated 8 months ago
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆36Updated last month
• jkwang93 / AMP-Designer
  A foundation model approach to guide antimicrobial peptide design in the era of artificial intelligence driven scientific discovery
  ☆27Updated this week
• liyigerry / gmx
  molecular dynamics simulation and analysis. 分子动力学模拟和分析。
  ☆39Updated 5 years ago
• Wang-Lin-boop / AutoMD
  Easy to get started with molecular dynamics simulation.
  ☆55Updated last month
• ai4protein / Pro-Prime
  ☆54Updated 3 months ago
• schrojunzhang / KarmaDock
  ☆112Updated 8 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆60Updated last month
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆32Updated last year