Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".
☆22Jul 11, 2022Updated 4 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 3 years ago
- ☆24Oct 11, 2022Updated 4 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- ☆11Sep 24, 2024Updated 2 years ago
- [IJCAI 2023] Graph Propagation Transformer for Graph Representation Learning☆50Oct 25, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.☆327Nov 4, 2023Updated 2 years ago
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆39Oct 22, 2025Updated last year
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆42Jan 14, 2023Updated 3 years ago
- 固定框内二维矩形装箱算法，二叉树实现☆11Jul 28, 2022Updated 4 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
- This is the PyTorch Implementation for our model VRKG4Rec (WSDM'23)☆19Mar 30, 2023Updated 3 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32May 16, 2024Updated 2 years ago
- Predicting molecular structure from multimodal spectroscopic data☆31Sep 28, 2026Updated last month
- ☆70Oct 11, 2022Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆10Jun 4, 2021Updated 5 years ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆42Sep 7, 2023Updated 3 years ago
- ☆14Dec 10, 2021Updated 4 years ago
- Graphormer Based Protein Sequence Design☆26Feb 2, 2024Updated 2 years ago
- ☆12Oct 12, 2024Updated 2 years ago
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated last year
- ☆11Oct 13, 2022Updated 4 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Dec 14, 2022Updated 3 years ago
- ☆13Apr 2, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Leveraging Contrastive Learning for Enhanced Node Representations in Tokenized Graph Transformers☆10May 13, 2025Updated last year
- ☆17Nov 19, 2023Updated 2 years ago
- Source code for "A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Profession…☆91Sep 6, 2023Updated 3 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆220Sep 20, 2022Updated 4 years ago
- AdaptiveFlow for Ligand Preparation (AFLP)☆10May 27, 2026Updated 5 months ago
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆13Dec 27, 2023Updated 2 years ago
- CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability☆11Jul 14, 2024Updated 2 years ago
- Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"☆24Apr 20, 2024Updated 2 years ago
- ☆19Nov 8, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- 🤓 Official Code of Paper: NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers(KDD 2026)☆18Aug 10, 2026Updated 2 months ago
- Drug Response Prediction and Biomarker Discovery Using Multi-Modal Deep Learning☆14Apr 24, 2024Updated 2 years ago
- Website for the 2021-2022 Caltech class Bi/BE/CS 183: Introduction to Computational Biology and Bioinformatics☆10Mar 11, 2022Updated 4 years ago
- ☆67Mar 23, 2026Updated 7 months ago
- ☆54May 24, 2024Updated 2 years ago
- Experimental code and data of paper "Improving Aspect Sentiment Quad Prediction via Template-Order Data Augmentation", EMNLP 2022☆18Dec 3, 2022Updated 3 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Jan 23, 2024Updated 2 years ago