Alternatives and similar repositories for cslvae

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

• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆31Updated last year
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆31Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• aivant / ShapeLinker
  ☆24Updated last year
• biomed-AI / DiffDec
  ☆38Updated last year
• molML / traversing_chem_space
  Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …
  ☆28Updated last year
• molecularmodelinglab / bigbind
  The BigBind protein-ligand binding dataset (and BayesBind benchmark)
  ☆20Updated last year
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆35Updated last month
• Hwoo-Kim / DeepBioisostere
  Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties
  ☆25Updated 3 months ago
• NVlabs / f-RAG
  Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)
  ☆25Updated 8 months ago
• jule-c / flowr
  ☆55Updated this week
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆14Updated 4 years ago
• larngroup / DiverseDRL
  ☆12Updated 5 years ago
• PNNL-CompBio / 3D_Scaffold
  ☆25Updated 3 years ago
• blackmints / InteractionNet
  ☆12Updated 5 years ago
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆18Updated last year
• zchwang / IGModel
  This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.
  ☆20Updated 11 months ago
• DrugAI / ACNet
  ☆17Updated 3 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• Genentech / Voxbind
  ☆30Updated last year
• sekijima-lab / mermaid
  ☆12Updated 4 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 8 months ago
• oxpig / AEV-PLIG
  ☆25Updated 9 months ago
• HXYfighter / 3DMolFormer
  ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
  ☆26Updated 7 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• MolFilterGAN / MolFilterGAN
  ☆15Updated 2 years ago