Alternatives and similar repositories for ChemProjector

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

• linminhtoo / neuralsym
  Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication
  ☆36Updated 3 years ago
• wenhao-gao / synformer
  ☆73Updated last year
• THGLab / LP-PDBBind
  ☆61Updated 6 months ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆69Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆88Updated last week
• juanniwu / t-SMILES
  ☆39Updated 10 months ago
• nobiastx / diffusion-conformer
  Diffusion-based molecule conformer generation
  ☆45Updated last year
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆70Updated 7 months ago
• coleygroup / sparrow
  ☆62Updated 7 months ago
• guanjq / LinkerNet
  The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
  ☆16Updated last year
• schwallergroup / steer
  ☆44Updated 2 months ago
• NTU-MedAI / MolFrag
  Obtain and organize all feasible fragmentation of molecular methods
  ☆35Updated 2 years ago
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆65Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆114Updated last year
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• Genentech / voxmol
  ☆21Updated last year
• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆54Updated 7 months ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆67Updated 3 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆92Updated 10 months ago
• jfjoung / mechanism_prediction
  ☆32Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆92Updated 2 years ago
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆78Updated 8 months ago
• bytedance / DecompOpt
  ☆16Updated last year
• SeonghwanSeo / RxnFlow
  Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)
  ☆31Updated 3 months ago
• DirectMolecularConfGen / DMCG
  ☆63Updated 3 years ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆43Updated last month
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆71Updated last year
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆82Updated 2 years ago