Alternatives and similar repositories for EcConf

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

• DrugAI / ACNet
  ☆16Updated 3 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• OdinZhang / SDEGen
  ☆24Updated 2 years ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆49Updated 3 years ago
• hnlab / BindingNet
  ☆25Updated 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.
  ☆19Updated 9 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• Exscientia / plif_validity
  Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"
  ☆19Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆44Updated last year
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• SeonghwanSeo / RxnFlow
  Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)
  ☆27Updated last week
• lingcon01 / LumiNet
  A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.
  ☆13Updated 8 months ago
• jule-c / flowr
  ☆54Updated 3 months ago
• ashipiling / GPT_3DSMILES
  ☆31Updated 2 months ago
• sekijima-lab / DiffInt
  ☆19Updated 5 months ago
• abdulsalam-bande / KDeep
  Implementation of the Kdeep Paper
  ☆21Updated 4 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆31Updated last year
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆34Updated 7 months ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 2 weeks ago
• Genentech / Voxbind
  ☆27Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆81Updated last month
• molML / RUSH
  ☆19Updated 8 months ago
• aivant / ShapeLinker
  ☆24Updated last year
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆28Updated 7 months ago
• lee-jwon / BInD
  ☆21Updated 3 months ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 5 months ago
• f-rianjongdee / bbSelect
  ☆13Updated last year