Alternatives and similar repositories for SDEGen

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

• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• micahwang / RELATION
  ☆17Updated 3 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆43Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆83Updated last month
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• DirectMolecularConfGen / DMCG
  ☆61Updated 3 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆39Updated 2 years ago
• ashipiling / GPT_3DSMILES
  ☆31Updated 4 months ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated last year
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆29Updated 9 months ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆37Updated 7 months ago
• 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
• Exscientia / plif_validity
  Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"
  ☆19Updated last year
• wenhao-gao / mol-opt
  Mol-Opt: a toolbox for molecular design
  ☆23Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆51Updated 3 years ago
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆34Updated 9 months ago
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 6 years ago
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆46Updated 2 months ago
• hnlab / BindingNet
  ☆26Updated last year
• jostorge / diffusion-hopping
  DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping
  ☆34Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• xianyuco / SS-GNN
  ☆24Updated 4 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆61Updated 2 years ago