Alternatives and similar repositories for DiffIUPAC

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

• CSUBioGroup / DTIAM
  A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.
  ☆46Updated 3 weeks ago
• yuanweining / FusionDTA
  ☆19Updated last year
• wzn99 / DrugPilot
  A LLM agent framework for drug discovery
  ☆16Updated 2 weeks ago
• CMACH508 / AlphaDrug
  AlphaDrug: Protein Target Specific De Novo Molecular Generation
  ☆40Updated 2 years ago
• 595693085 / WGNN-DTA
  a method for CPI and DTA prediction
  ☆11Updated 3 years ago
• mahsasheikh / DrugGen
  DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback
  ☆16Updated 2 months ago
• SigmaGenX / TamGen
  ☆36Updated 2 months ago
• MahaThafar / Affinity2Vec
  Drug-target binding affinity prediction using representation learning, graph mining, and machine learning
  ☆24Updated 3 years ago
• stardj / PharmHGT
  Repo of pharmacophoric constrained heterogeneous-graph-transformer
  ☆17Updated 2 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• Sultans0fSwing / MFE
  ☆17Updated last year
• Shen-Lab / CPAC
  [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction
  ☆16Updated last year
• GENTEL-lab / AuroBind
  ☆18Updated this week
• zjujdj / IGN
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆32Updated 4 years ago
• LirongWu / Prompt-DDG
  Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…
  ☆42Updated 10 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• biomed-AI / STAMP-DPI
  ☆31Updated 3 years ago
• emersON106 / SGPPI
  SGPPI: structure-aware prediction of protein-protein interactions in rigorous conditions with graph convolutional network
  ☆14Updated 2 years ago
• KyGao / ABGNN
  PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"
  ☆53Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• ZhonghuiGu / HEAL
  ☆54Updated 11 months ago
• gersteinlab / GenAI4Drug
  [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design
  ☆89Updated 8 months ago
• jiajunyu1999 / LLM4Drug
  ☆12Updated 5 months ago
• skinnider / low-data-generative-models
  ☆20Updated 4 years ago
• bm2-lab / X-MOL
  ☆36Updated 3 years ago
• Shihang-Wang-58 / papers_for_molecular_representation
  Collection of papers for Molecular Representation using AI
  ☆22Updated 3 weeks ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated 2 years ago
• smiles724 / Molformer
  ☆96Updated last month
• CSUBioGroup / BACPI
  A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
  ☆32Updated 2 years ago
• DeepGraphLearning / esm-s
  Structure-Informed Protein Language Model
  ☆35Updated last year