Alternatives and similar repositories for synformer

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

• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆43Updated this week
• SeonghwanSeo / RxnFlow
  Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)
  ☆20Updated 3 months ago
• MolecularAI / Lib-INVENT
  ☆57Updated 2 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆65Updated 6 months ago
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆68Updated 2 weeks ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆61Updated 11 months ago
• koziarskilab / RGFN
  Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)
  ☆22Updated 2 weeks ago
• jfjoung / mechanism_prediction
  ☆25Updated 11 months ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆24Updated last year
• coleygroup / sparrow
  ☆52Updated this week
• bbaillif / genbench3d
  Benchmarking deep learning models generating molecules in 3D
  ☆16Updated 2 months ago
• snu-micc / BR-SAScore
  Building-block and reaction-aware SAScore
  ☆14Updated 3 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆54Updated 3 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 8 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆55Updated 2 weeks ago
• THGLab / LP-PDBBind
  ☆44Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆63Updated 4 months ago
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆18Updated 5 months ago
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆33Updated 2 years ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆62Updated 2 months ago
• schwallergroup / steer
  ☆33Updated this week
• HelloJocelynLu / EFGs
  A simple molecule fragmentation method.
  ☆36Updated last year
• coleygroup / Graph2SMILES
  ☆57Updated last year
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆41Updated last year
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated last year
• molML / traversing_chem_space
  ☆23Updated 10 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• wujialu / MF-SuP-pKa
  Pytorch implementation of “MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction”
  ☆20Updated 2 years ago
• guanjq / LinkerNet
  The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
  ☆12Updated last year