Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
☆23Jul 11, 2022Updated 3 years ago
Alternatives and similar repositories for GeomGCL
Users that are interested in GeomGCL are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆29Jul 17, 2023Updated 2 years ago
- This is the official implmentation of Domain-Adaptive Text Classification with Structured Knowledge from Unlabeled Data (IJCAI 2022 Long …☆11Mar 8, 2023Updated 3 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Jan 14, 2023Updated 3 years ago
- Few-Shot Graph Learning for Molecular Property Prediction☆137Feb 20, 2023Updated 3 years ago
- ☆24Oct 11, 2022Updated 3 years ago
- ☆11Jun 4, 2021Updated 4 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- ☆11Oct 13, 2022Updated 3 years ago
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆36Oct 22, 2025Updated 5 months ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32May 16, 2024Updated last year
- ☆12Oct 12, 2024Updated last year
- ☆16Nov 19, 2023Updated 2 years ago
- This is the PyTorch Implementation for our model VRKG4Rec (WSDM'23)☆20Mar 30, 2023Updated 2 years ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Mar 18, 2024Updated 2 years ago
- Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.☆318Nov 4, 2023Updated 2 years ago
- ☆14Feb 20, 2024Updated 2 years ago
- ☆39Jun 24, 2024Updated last year
- Drug Response Prediction and Biomarker Discovery Using Multi-Modal Deep Learning☆14Apr 24, 2024Updated last year
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆12Dec 27, 2023Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Jun 21, 2023Updated 2 years ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Sep 7, 2023Updated 2 years ago
- Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"☆23Apr 20, 2024Updated last year
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆210Sep 20, 2022Updated 3 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Dec 28, 2021Updated 4 years ago
- ☆19Nov 8, 2022Updated 3 years ago
- ☆65Jul 13, 2025Updated 8 months ago
- Website for the 2021-2022 Caltech class Bi/BE/CS 183: Introduction to Computational Biology and Bioinformatics☆10Mar 11, 2022Updated 4 years ago
- Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in …☆20Aug 30, 2022Updated 3 years ago
- ☆14Apr 15, 2024Updated last year
- The official source code of the paper "Unsupervised Episode Generation for Graph Meta-learning" (ICML 2024)☆14Jun 25, 2024Updated last year
- Experimental code and data of paper "Improving Aspect Sentiment Quad Prediction via Template-Order Data Augmentation", EMNLP 2022☆19Dec 3, 2022Updated 3 years ago
- Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]☆91Feb 3, 2024Updated 2 years ago
- ☆21May 24, 2024Updated last year
- 一个为RAG系统设计的Markdown文档工具，提供标题结构自动抽取和文档分割两大功能。完整保留文档层级结构，解决传统切分器丢失标题层级与破坏表格完整性的问题。A hierarchy-preserving Markdown document splitter for RAG…☆13Jan 2, 2025Updated last year
- Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready f…☆12Dec 29, 2023Updated 2 years ago
- ☆13Jul 24, 2023Updated 2 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆172Oct 8, 2023Updated 2 years ago
- ET-Tox☆12Oct 4, 2024Updated last year
- Kimariyb 的科研绘图脚本，涵括很多类型的曲线图☆10Nov 1, 2023Updated 2 years ago