Alternatives and similar repositories for SPMM

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

• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆70Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆77Updated last year
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated last year
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆56Updated last week
• THGLab / LP-PDBBind
  ☆58Updated 5 months ago
• jiaxianyan / DeltaDock
  ☆27Updated last year
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆67Updated last year
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆30Updated last year
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• wenhao-gao / synformer
  ☆69Updated 11 months ago
• chandar-lab / NovoMolGen
  Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"
  ☆22Updated 2 months ago
• jfjoung / mechanism_prediction
  ☆32Updated last year
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆65Updated 4 months ago
• guaguabujianle / GIGN
  ☆49Updated 2 years ago
• juanniwu / t-SMILES
  ☆39Updated 8 months ago
• Augus1999 / bayesian-flow-network-for-chemistry
  ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.
  ☆27Updated this week
• smiles724 / ProtMD
  ☆65Updated 6 months ago
• ACE-KAIST / DeepICL
  Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)
  ☆64Updated last year
• meyresearch / SILVR
  ☆38Updated last year
• mseok / PIGNet2
  Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…
  ☆22Updated 3 months ago
• ninglab / DiffSMol
  ☆40Updated 5 months ago
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆53Updated last year
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆58Updated last month
• VicFisher / DiffPhore
  Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping
  ☆45Updated 6 months ago
• ACE-KAIST / PIGNet
  PIGNet source code
  ☆54Updated 3 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆38Updated 2 years ago
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆56Updated 9 months ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆119Updated 3 weeks ago
• Jamson-Zhong / Graph2Edits
  ☆37Updated 2 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆65Updated last month