Alternatives and similar repositories for Protac-invent

Users that are interested in Protac-invent are comparing it to the libraries listed below

• AnHorn / AIMLinker

  View on GitHub
  Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design
  ☆12Oct 2, 2023Updated 2 years ago
• Fenglei104 / DiffPROTACs

  View on GitHub
  ☆18Jul 14, 2024Updated last year
• JenniferKim09 / FFLOM

  View on GitHub
  ☆17Sep 4, 2023Updated 2 years ago
• gaoqiweng / PROTAC-Model

  View on GitHub
  Integrative modeling of PROTAC-mediated ternary complex
  ☆29May 4, 2022Updated 3 years ago
• divnori / Protac-Design

  View on GitHub
  UROP Project @ Coley Group
  ☆27Jan 22, 2023Updated 3 years ago
• Fenglei104 / DeepPROTACs

  View on GitHub
  ☆58Mar 14, 2023Updated 2 years ago
• youqingxiaozhua / DeepTernary

  View on GitHub
  ☆42Nov 29, 2025Updated 2 months ago
• biomed-AI / PROTAC-RL

  View on GitHub
  ☆65Oct 11, 2022Updated 3 years ago
• PROTACs / PROTAC-STAN

  View on GitHub
  Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework
  ☆12Oct 6, 2025Updated 4 months ago
• Sonti974948 / Enhanced-Sampling-in-AMBER-tutorial

  View on GitHub
  Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)
  ☆11Dec 1, 2025Updated 2 months ago
• yydiao1025 / MacFrag

  View on GitHub
  ☆29Mar 11, 2023Updated 2 years ago
• weitse-hsu / REMD_analysis

  View on GitHub
  A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
  ☆13Feb 20, 2023Updated 2 years ago
• zhangruochi / MolFeSCue

  View on GitHub
  ☆13Jun 7, 2024Updated last year
• tiantz17 / MolSHAP

  View on GitHub
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Aug 17, 2023Updated 2 years ago
• zhu-tingfei / PatentNetML

  View on GitHub
  ☆11Jan 8, 2024Updated 2 years ago
• jeah-z / IFP-RNN

  View on GitHub
  A molecule generative model used interaction fingerprint (docking pose) as constraints.
  ☆15Feb 13, 2022Updated 4 years ago
• sirimullalab / KinasepKipred

  View on GitHub
  Model to predict kinase-ligand pKi values.
  ☆12Jul 6, 2023Updated 2 years ago
• GilbertoPPereira / PROTACability

  View on GitHub
  ☆13Jul 11, 2023Updated 2 years ago
• MorganCThomas / MolScore_examples

  View on GitHub
  Examples of MolScore implementations
  ☆11May 30, 2024Updated last year
• iwatobipen / vs_vina

  View on GitHub
  ☆13Sep 4, 2021Updated 4 years ago
• charlesxu90 / helm-gpt

  View on GitHub
  HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer
  ☆30Jul 4, 2024Updated last year
• molecularmodelingsection / SuMD

  View on GitHub
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆16Apr 24, 2024Updated last year
• FatimaNoor74 / VirtuDockDL

  View on GitHub
  ☆21Oct 2, 2024Updated last year
• monterosatx / gloop-mining

  View on GitHub
  Code used in paper for G-loop mining.
  ☆20Feb 23, 2025Updated 11 months ago
• CSUBioGroup / DeepDTAGen

  View on GitHub
  ☆27Jul 9, 2025Updated 7 months ago
• larngroup / DTITR

  View on GitHub
  DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers
  ☆15Nov 8, 2023Updated 2 years ago
• AspirinCode / DrugAI_Drug-Likeness

  View on GitHub
  Drug-Likeness
  ☆16Dec 11, 2022Updated 3 years ago
• drorlab / GLOW_IVES

  View on GitHub
  ☆15Dec 4, 2023Updated 2 years ago
• TimS-ml / FKSFold-Chai

  View on GitHub
  ☆17Sep 30, 2025Updated 4 months ago
• ACE-KAIST / DeepICL

  View on GitHub
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆65Jul 2, 2024Updated last year
• AspirinCode / GENiPPI

  View on GitHub
  Interface-aware molecular generative framework for protein-protein interaction modulators
  ☆18Dec 22, 2024Updated last year
• ncats / herg-ml

  View on GitHub
  ☆17Dec 21, 2022Updated 3 years ago
• SongXia-NYU / DiffDock-NMDN

  View on GitHub
  ☆17Feb 2, 2026Updated 2 weeks ago
• wzxxxx / Prompt-MolOpt

  View on GitHub
  a multi-property optimization method.
  ☆32Dec 10, 2024Updated last year
• guanjq / confopt_official

  View on GitHub
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Oct 15, 2022Updated 3 years ago
• mldlproject / 2021-iCYP-MFE

  View on GitHub
  Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…
  ☆18Jun 27, 2023Updated 2 years ago
• MolecularAI / ReinventCommunity

  View on GitHub
  ☆174Apr 22, 2022Updated 3 years ago
• JamEwe / ADMET-PrInt

  View on GitHub
  Evaluation of physicochemical and ADMET properties as an important stage of the drug design process – prediction, interpretation, and opt…
  ☆17Apr 20, 2025Updated 9 months ago
• monterosatx / molecular-surface-mining

  View on GitHub
  Code used to mine surfaces.
  ☆28Feb 23, 2025Updated 11 months ago