Alternatives and similar repositories for 3DMolFormer

Users that are interested in 3DMolFormer are comparing it to the libraries listed below

• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆27Updated 5 months ago
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆38Updated 2 months ago
• iipharma / transpharmer-repo
  ☆37Updated 5 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 10 months ago
• 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.
  ☆19Updated 7 months ago
• plainerman / DiffDock-Pocket
  Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility
  ☆32Updated last year
• microsoft / bioemu-benchmarks
  Benchmarking code accompanying the release of `bioemu`
  ☆41Updated last month
• Exscientia / plif_validity
  Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"
  ☆18Updated 10 months ago
• SigmaGenX / TamGen
  ☆38Updated 2 months ago
• jiaxianyan / DeltaDock
  ☆27Updated 10 months ago
• ashipiling / GPT_3DSMILES
  ☆30Updated this week
• THGLab / LP-PDBBind
  ☆50Updated last month
• youqingxiaozhua / DeepTernary
  ☆31Updated last month
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆77Updated last month
• jule-c / flowr
  ☆47Updated last month
• karma211225 / KarmaLoop
  Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop
  ☆14Updated last year
• bytedance / DecompOpt
  ☆14Updated 10 months ago
• sekijima-lab / DiffInt
  ☆17Updated 3 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated 3 weeks ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆52Updated 4 months ago
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆30Updated last year
• oxpig / MolSnapper
  ☆50Updated 3 months ago
• guanjq / LinkerNet
  The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
  ☆12Updated last year
• CataAI / PoseX
  PoseX: A Molecular Docking Benchmark
  ☆47Updated last month
• BioChemAI / DeepBlock
  This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…
  ☆18Updated 11 months ago
• camlab-ethz / GEMS
  Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models
  ☆33Updated last month
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆61Updated 5 months ago
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆26Updated 3 weeks ago