HICAI-ZJU / iMoLD
Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)
☆22Updated last year
Alternatives and similar repositories for iMoLD:
Users that are interested in iMoLD are comparing it to the libraries listed below
- Part of official implementation of "Natural language-informed learning of molecule graphs"☆15Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 10 months ago
- ☆21Updated 2 years ago
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆33Updated 11 months ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆57Updated 11 months ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆22Updated last year
- InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)☆43Updated 2 months ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆18Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆31Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆22Updated 5 months ago
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆15Updated 5 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆37Updated 8 months ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning☆21Updated 4 months ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆40Updated last year
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆16Updated 3 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆23Updated 6 months ago
- ☆13Updated last year
- [ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.☆23Updated last year
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆31Updated 8 months ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆17Updated last year
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆18Updated 8 months ago
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆38Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆16Updated 10 months ago
- ☆42Updated 10 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆49Updated 3 weeks ago
- Repository for Text2Mol: Cross-Modal Molecular Retrieval with Natural Language Queries☆41Updated last year