Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)
☆24Jun 10, 2024Updated 2 years ago
Alternatives and similar repositories for GraphFP
Users that are interested in GraphFP 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 code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆66Feb 22, 2024Updated 2 years ago
- MBP: Multi-task Bioassay Pre-training for Protein-Ligand Binding Affinity Prediction☆21Oct 15, 2024Updated last year
- Hypergraph Multi-Modal Learning for EEG-based Emotion Recognition in Conversation☆18Jun 15, 2026Updated last month
- The official repository for "Multi-channel learning for integrating structural hierarchies into context-dependent molecular representatio…☆15Feb 25, 2025Updated last year
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆44Apr 24, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆260Jun 27, 2025Updated last year
- Repository for AAAI 2024 paper "MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts"☆23Apr 20, 2024Updated 2 years ago
- Demonstrates failures of bias mitigation methods under varying types/levels of biases (WACV 2021)☆26Mar 31, 2024Updated 2 years ago
- 基于Spring Boot和React.js的在线评测(OJ)系统☆13Apr 14, 2025Updated last year
- Obtain and organize all feasible fragmentation of molecular methods☆37Aug 4, 2023Updated 2 years ago
- Pre-commit and post-checkout hooks making git better suited for version control of zipped Office Open XML files, e.g. Word/.docx, Excel/.…☆14Mar 22, 2018Updated 8 years ago
- [ICLR'25] PiCO: Peer Review in LLMs based on the Consistency Optimization, https://arxiv.org/pdf/2402.01830☆36Feb 16, 2025Updated last year
- A curated list of papers and resources on Structure-Based Drug Design (SBDD)☆12Jun 24, 2024Updated 2 years ago
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Mar 12, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Repository for AAAI 2024 paper "From Artificially Real to Real: Leveraging Pseudo Data from Large Language Models for Low-Resource Molecu…☆23Dec 20, 2023Updated 2 years ago
- A Network Integration Approach for Drug-Target Interaction Prediction☆13Apr 5, 2025Updated last year
- 【COLING 2025🔥】Code for the paper "Is Parameter Collision Hindering Continual Learning in LLMs?".☆38Dec 5, 2024Updated last year
- Accurate prediction of drug–target interactions in drug discovery.☆11Dec 9, 2025Updated 7 months ago
- ML-based molecular representation models using PyTorch☆16Feb 25, 2026Updated 5 months ago
- ☆170Feb 28, 2022Updated 4 years ago
- ☆17Dec 9, 2024Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆49Sep 9, 2024Updated last year
- GPT as a Monte Carlo Language Tree: A Probabilistic Perspective☆46Jan 18, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A PyTorch-based suite of deep unsupervised clustering algorithms☆13Jun 29, 2024Updated 2 years ago
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆85Feb 25, 2024Updated 2 years ago
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆219Mar 31, 2023Updated 3 years ago
- ☆20Jun 14, 2026Updated last month
- Papers about Graph Contrastive Learning and Graph Self-supervised Learning on Graphs with Heterophily☆38Nov 2, 2023Updated 2 years ago
- ☆19Dec 16, 2024Updated last year
- ☆19Aug 8, 2024Updated last year
- Heterogeneous Causal Metapath Graph Neural Network for Gene-Microbe-Disease Association Prediction☆12Aug 19, 2024Updated last year
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Feb 16, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆128Sep 17, 2024Updated last year
- ☆12Jan 27, 2023Updated 3 years ago
- ☆54Apr 19, 2024Updated 2 years ago
- This repository contains code related to a research paper I've been working on titled "Dynamic traffic assignment with a node-based cell …☆18Aug 23, 2019Updated 6 years ago
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆17May 19, 2025Updated last year
- BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)☆127Sep 14, 2024Updated last year
- Official repository for the ICLR 2022 paper "Evaluation Metrics for Graph Generative Models: Problems, Pitfalls, and Practical Solutions"…☆14Jul 5, 2022Updated 4 years ago