An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)
☆17Dec 24, 2024Updated last year
Alternatives and similar repositories for IEM
Users that are interested in IEM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- EDBench: Large-Scale Electron Density Data for Molecular Modeling (NeurIPS 2025)☆23May 12, 2026Updated 2 months ago
- ☆26Mar 20, 2026Updated 4 months ago
- The official repository for "Multi-channel learning for integrating structural hierarchies into context-dependent molecular representatio…☆15Feb 25, 2025Updated last year
- ☆16Oct 27, 2024Updated last year
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆12Sep 6, 2024Updated last year
- 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.
- Official implementation of paper: MolAE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective (icml 2024)☆12Jul 4, 2024Updated 2 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆50Dec 18, 2024Updated last year
- ☆12Jun 14, 2025Updated last year
- Implicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations☆56Apr 30, 2025Updated last year
- A curated list of awesome AI and Bioinformatics.☆56Mar 5, 2023Updated 3 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆136Jun 9, 2023Updated 3 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated last year
- The code for SCAGE.☆23Nov 30, 2025Updated 7 months ago
- A LLM-based Agent Framework for Drug Discovery☆22Jan 11, 2026Updated 6 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆18Feb 5, 2024Updated 2 years ago
- AI for Chemical Spectra☆18Updated this week
- 3D molecular fingerprints (E3FP) paper repo☆15Mar 14, 2021Updated 5 years ago
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated last year
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆56Feb 27, 2025Updated last year
- ☆19Jun 14, 2025Updated last year
- few-shot compound activity regression☆12Aug 19, 2024Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- ☆31Sep 8, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15Nov 5, 2024Updated last year
- ☆17Jun 16, 2022Updated 4 years ago
- 基于 yolomark的半自动化标注工具☆13May 5, 2019Updated 7 years ago
- Data Augmentation for Supervised Graph Outlier Detection with Latent Diffusion Models☆15Sep 3, 2025Updated 10 months ago
- [ICLR 2025] The source code of "MolSpectra: Pre-training 3D Molecular Representation with Multi-modal Energy Spectra"☆20Apr 19, 2025Updated last year
- 📊 Create visualizations from numbers in documents.☆14Dec 19, 2023Updated 2 years ago
- Predicting molecular structure from multimodal spectroscopic data☆29Jun 19, 2026Updated last month
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆213Feb 15, 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.
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆25Dec 20, 2024Updated last year
- ☆16Mar 16, 2023Updated 3 years ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆44Apr 24, 2024Updated 2 years ago
- structure-based explanation methods☆29Apr 27, 2024Updated 2 years ago
- Kimariyb 的科研绘图脚本，涵括很多类型的曲线图☆10Nov 1, 2023Updated 2 years ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆22Mar 26, 2024Updated 2 years ago
- [NeurIPS 2023] Implementation of "Improving Self-supervised Molecular Representation Learning using Persistent Homology"☆16Nov 16, 2023Updated 2 years ago