Alternatives and similar repositories for SMILES-BERT

Users that are interested in SMILES-BERT are comparing it to the libraries listed below

• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆29Updated last year
• otori-bird / retrosynthesis
  ☆69Updated 11 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆68Updated last year
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆83Updated last year
• DirectMolecularConfGen / DMCG
  ☆54Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆89Updated 5 months ago
• smiles724 / ProtMD
  ☆64Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆33Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 4 years ago
• wzxxxx / MGA
  MGA
  ☆42Updated 4 years ago
• HyunSeobKim / CHEM-BERT
  pre-training BERT with molecular data
  ☆44Updated 3 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• OmicsML / awesome-molecule-protein-pretrain-papers
  ☆39Updated last year
• mhlee216 / MGCVAE
  Code for "MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder" (https://doi.org/10.1021/acs.jc…
  ☆30Updated 5 months ago
• CSUBioGroup / BACPI
  A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
  ☆30Updated 2 years ago
• sc8668 / RTMScore
  ☆100Updated 2 years ago
• guaguabujianle / GIGN
  ☆43Updated last year
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆41Updated 2 years ago
• THGLab / LP-PDBBind
  ☆40Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆31Updated last year
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆105Updated 6 months ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• conghaowang / GLDM
  ☆17Updated 4 months ago
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆52Updated 2 months ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆54Updated last year
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆48Updated 2 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• uta-smile / RetroXpert
  ☆65Updated 3 years ago
• pengxingang / PocketXMol
  Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.
  ☆38Updated 2 weeks ago