Alternatives and similar repositories for llamol

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

• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆63Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆63Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆43Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆99Updated 9 months ago
• oxpig / DEVELOP
  ☆55Updated last year
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆61Updated 5 months ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆27Updated 5 months ago
• hskang0906 / DTI-Prediction
  Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert
  ☆15Updated 10 months ago
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆41Updated last year
• guanjq / LinkerNet
  The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
  ☆12Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆77Updated last month
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated 3 weeks ago
• qiangbo1222 / Uni-RXN-official
  ☆28Updated last year
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆32Updated 2 months ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• THGLab / LP-PDBBind
  ☆49Updated last month
• stonewiseAIDrugDesign / Lingo3DMol
  ☆58Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆66Updated 8 months ago
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆21Updated last week
• iipharma / transpharmer-repo
  ☆37Updated 5 months ago
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆26Updated 2 months ago
• SeonghwanSeo / RxnFlow
  Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)
  ☆24Updated 5 months ago
• wenhao-gao / synformer
  ☆51Updated 7 months ago
• DrugBud-Suite / CADD_Vault
  ☆54Updated 5 months ago
• bytedance / DecompOpt
  ☆14Updated 10 months ago
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated 8 months ago