Alternatives and similar repositories for SDEGen

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

• micahwang / RELATION
  ☆17Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆43Updated last year
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆32Updated 3 months ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• xianyuco / SS-GNN
  ☆25Updated last month
• oxpig / DEVELOP
  ☆55Updated last year
• ashipiling / GPT_3DSMILES
  ☆30Updated 2 weeks ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆40Updated 2 years ago
• anny0316 / GEOM-CVAE
  ☆15Updated 4 years ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆77Updated 2 weeks ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• DirectMolecularConfGen / DMCG
  ☆58Updated 2 years ago
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆33Updated 5 months ago
• DevSlem / Mol-AIR
  Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.
  ☆23Updated 6 months ago
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• wenhao-gao / mol-opt
  Mol-Opt: a toolbox for molecular design
  ☆23Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆66Updated 9 months ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆54Updated 5 months ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 11 months ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆46Updated 2 years ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated last month
• bytedance / DecompOpt
  ☆15Updated 10 months ago
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• guaguabujianle / GIGN
  ☆45Updated 2 years ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆27Updated 5 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• hnlab / BindingNet
  ☆25Updated last year