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

• Deno-V / tgm-dlm
  Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model
  ☆18Updated 6 months ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆49Updated 3 weeks ago
• Vencent-Won / SGGRL
  The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".
  ☆38Updated 2 months ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆40Updated last year
• liugangcode / Llamole
  Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning
  ☆14Updated 4 months ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆110Updated last year
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆22Updated 3 months ago
• huaishengzhu / 3MDiffusion
  ☆17Updated last month
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆40Updated 8 months ago
• Rich-XGK / GTMGC
  Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).
  ☆16Updated 10 months ago
• NYUSHCS / MolecularGPT
  ☆26Updated 7 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆62Updated 10 months ago
• IDEA-XL / InstructMol
  InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)
  ☆43Updated 2 months ago
• ddz16 / MoMu
  The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".
  ☆22Updated last year
• ZangXuan / HiMol
  ☆22Updated last year
• agave233 / GeomGCL
  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
  ☆19Updated 2 years ago
• 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…
  ☆54Updated last year
• microsoft / DVMP
  The official implementation of dual-view molecule pre-training.
  ☆39Updated 3 years 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 week
• lmqfly / Geometry-Deep-Learning-for-Drug-Discovery
  Geometry Deep Learning for Drug Discovery and Life Science
  ☆65Updated 9 months ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆99Updated 11 months ago
• phenixace / MolReGPT
  ☆49Updated 8 months ago
• Graph-and-Geometric-Learning / MolGroup
  Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023
  ☆18Updated last year
• kanz76 / GMPNN-CS
  ☆28Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆43Updated 6 months ago
• lvkd84 / GraphFP
  Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)
  ☆18Updated 8 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆117Updated 8 months ago
• AlgoMole / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆31Updated 8 months ago
• linjc16 / R2-DDI
  [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".
  ☆13Updated 11 months ago
• lsh0520 / 3D-MoLM
  ☆42Updated 10 months ago