Alternatives and similar repositories for MoleSG:

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

• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆40Updated 2 months ago
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆20Updated 2 years ago
• wzxxxx / Substructure-Mask-Explanation
  structure-based explanation methods
  ☆23Updated 10 months ago
• ZangXuan / HiMol
  ☆23Updated last year
• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆29Updated 2 years ago
• idrugLab / FP-GNN
  ☆60Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆31Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆53Updated last month
• conghaowang / GLDM
  ☆15Updated 2 months ago
• Jamson-Zhong / Graph2Edits
  ☆30Updated last year
• guaguabujianle / EHIGN_PLA
  ☆15Updated 9 months ago
• LirongWu / PSC-CPI
  Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…
  ☆26Updated last month
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆35Updated 5 months ago
• Rich-XGK / GTMGC
  Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).
  ☆16Updated 11 months ago
• Deno-V / tgm-dlm
  Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model
  ☆18Updated 7 months ago
• LiZhang30 / GPCNDTA
  GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores
  ☆17Updated last month
• ETHmodlab / lsfml
  Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning
  ☆18Updated last year
• linjc16 / R2-DDI
  [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".
  ☆13Updated 11 months ago
• bytedance / DecompOpt
  ☆9Updated 4 months ago
• idrugLab / FG-BERT
  Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
  ☆26Updated last year
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆33Updated 6 months ago
• HaotianZhangAI4Science / ResGen
  3D_Molecular_Generation
  ☆85Updated 3 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆62Updated 10 months ago
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆66Updated 10 months ago
• hongliangduan / Multi_CycGT
  Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides
  ☆13Updated 2 months ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆94Updated 3 months ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆37Updated last week
• jfjoung / mechanism_prediction
  ☆21Updated 7 months ago
• guaguabujianle / MGraphDTA
  ☆48Updated 6 months ago