syr-cn / SimSGTLinks
[NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"
☆36Updated last year
Alternatives and similar repositories for SimSGT
Users that are interested in SimSGT are comparing it to the libraries listed below
Sorting:
- [ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.☆23Updated last year
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆21Updated last year
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆19Updated last year
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆21Updated last year
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆38Updated last year
- The official source code for "Conditional Graph Information Bottleneck for Molecular Relational Learning".☆40Updated 2 years ago
- ☆13Updated 2 years ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆61Updated last year
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆42Updated 2 months ago
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆42Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆31Updated last year
- Code for GeSS: Benchmarking Geometric Deep Learning under Scientific Applications with Distribution Shifts☆16Updated 5 months ago
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆20Updated 11 months ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 3 months ago
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆32Updated last year
- A curated list of papers related to molecular diffusion models.☆36Updated last week
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆19Updated 9 months ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆40Updated 8 months ago
- ☆14Updated 2 years ago
- ☆22Updated 2 years ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆21Updated last month
- [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…☆20Updated last year
- Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).☆14Updated last year
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆17Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆15Updated 2 weeks ago
- InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)☆47Updated 6 months ago
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆122Updated last year