Alternatives and similar repositories for Retrieval-Retro

Users that are interested in Retrieval-Retro are comparing it to the libraries listed below

• HeewoongNoh / DOSTransformer
  The offical source code for [2023 NeurIPS] " Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transfor…
  ☆30Updated last year
• Namkyeong / CGIB
  The official source code for "Conditional Graph Information Bottleneck for Molecular Relational Learning".
  ☆45Updated 2 years ago
• Namkyeong / CMRL
  The official source code for "Shift-Robust Molecular Relational Learning with Causal Substructure"
  ☆24Updated 2 years ago
• Namkyeong / AMOLE
  The official source code for "Vision Language Model is NOT All You Need: Augmentation Strategies for Molecule Language Model".
  ☆14Updated last year
• Namkyeong / 3DMRL
  The official source code for "3D Interaction Geometric Pre-training for Molecular Relational Learning"
  ☆21Updated 3 months ago
• BingSu12 / MoMu
  ☆24Updated 3 years ago
• zhao-ht / GIMLET
  The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning
  ☆65Updated last year
• GRAPH-0 / CDGS
  Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation
  ☆35Updated 2 years ago
• Data-reindeer / MolScaling
  Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).
  ☆14Updated 2 years ago
• liugangcode / GREA
  [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"
  ☆47Updated 9 months ago
• yangnianzu0515 / MoleOOD
  Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…
  ☆62Updated 2 years ago
• HICAI-ZJU / iMoLD
  Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)
  ☆22Updated 2 years ago
• Junseok0207 / scFP
  The official source code for "Single-cell RNA-seq data imputation using Feature Propagation", accepted at 2023 ICML Workshop on Computati…
  ☆12Updated 2 years ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆44Updated 2 years ago
• SukwonYun / S-Mixup
  [CIKM 2023 Short] Code for the paper "S-Mixup: Structural Mixup for Graph Neural Networks"
  ☆18Updated 2 years ago
• IDEA-XL / InstructMol
  InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)
  ☆52Updated last year
• ChnQ / LLM4Mol
  Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"
  ☆39Updated 2 years ago
• harryjo97 / GruM
  Official Code Repository for the paper "Graph Generation with Diffusion Mixture" (ICML 2024).
  ☆36Updated last year
• Graph-COM / Pair-Align
  [ICML 2024] Code for Pairwise Alignment Improves Graph Domain Adaptation (Pair-Align)
  ☆14Updated last year
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆128Updated 2 years ago
• KanghoonYoon / torch-metacon
  Pytorch Implmentation of Meta Attack via Contrastive Surrogate Objective
  ☆12Updated last year
• zaixizhang / MGSSL
  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"
  ☆126Updated 2 years ago
• yeonjun-in / torch-SG-GSR
  The official source code for Self-Guided Robust Graph Structure Refinement (SG-GSR) at WWW 2024 Research Track.
  ☆17Updated last year
• syr-cn / SimSGT
  [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"
  ☆40Updated last year
• Graph-and-Geometric-Learning / MolGroup
  Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023
  ☆18Updated 2 years ago
• Graph-COM / LRI
  [ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.
  ☆24Updated 2 years ago
• ddz16 / MoMu
  The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".
  ☆29Updated 2 years ago
• ZhixunLEE / Awesome-AI-for-Materials-Generation
  [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
  ☆35Updated last month
• syr-cn / ReactXT
  [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…
  ☆25Updated last year
• LUOyk1999 / HDSE
  [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"
  ☆16Updated 7 months ago