Alternatives and similar repositories for Awesome-Deep-Graph-Learning-for-Drug-Discovery

Users that are interested in Awesome-Deep-Graph-Learning-for-Drug-Discovery 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".
  ☆43Updated 6 months ago
• Deno-V / tgm-dlm
  Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model
  ☆19Updated this week
• lvkd84 / GraphFP
  Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)
  ☆20Updated last year
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆72Updated 3 weeks ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated 2 years ago
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆44Updated last year
• LUOyk1999 / Molecular-homology
  [NeurIPS 2023] Implementation of "Improving Self-supervised Molecular Representation Learning using Persistent Homology"
  ☆11Updated last year
• LirongWu / PSC-CPI
  Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…
  ☆28Updated 4 months ago
• NYUSHCS / MolecularGPT
  ☆33Updated 11 months ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆119Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆67Updated last year
• alxfgh / Large-Language-Models-in-Chemistry
  Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…
  ☆64Updated 2 years ago
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆39Updated 2 weeks ago
• Rich-XGK / GTMGC
  Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).
  ☆17Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆22Updated 2 years ago
• YangLing0818 / IRDiff
  [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
  ☆28Updated 9 months ago
• ZangXuan / HiMol
  ☆24Updated 2 years ago
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆41Updated 3 years ago
• bytedance / DecompDiff
  The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)
  ☆62Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆114Updated 6 months ago
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆60Updated 11 months ago
• LUOyk1999 / HDSE
  [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"
  ☆15Updated last month
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆90Updated 2 years ago
• liugangcode / Llamole
  Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
  ☆28Updated 8 months ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆32Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆120Updated last year
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆33Updated 6 months ago
• LiZhang30 / GPCNDTA
  GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores
  ☆17Updated 5 months ago
• azminewasi / Awesome-MoML-NeurIPS24
  ALL Molecular ML papers from NeurIPS'24.
  ☆57Updated 7 months ago
• AlgoMole / GeoBFN
  Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
  ☆53Updated last year