The code for SCAGE.
☆25Nov 30, 2025Updated 11 months ago
Alternatives and similar repositories for SCAGE
Users that are interested in SCAGE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official implementation of MotiL for molecular property prediction (Nature Communications)☆15May 31, 2026Updated 5 months ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 3 years ago
- ☆47Nov 9, 2023Updated 2 years ago
- ☆13Jun 7, 2024Updated 2 years ago
- ☆16Oct 28, 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.
- ☆16Jul 13, 2025Updated last year
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆55Dec 16, 2022Updated 3 years ago
- This is the code of KA-GNN☆101Jul 9, 2026Updated 3 months ago
- CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability☆11Jul 14, 2024Updated 2 years ago
- ☆20Feb 5, 2024Updated 2 years ago
- Codebase for NaFM: Pre-training a Foundation Model for Small-Molecule Natural Products☆29May 10, 2026Updated 5 months ago
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 7 months ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆58Feb 27, 2025Updated last year
- ☆10Jun 8, 2023Updated 3 years 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.
- ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.☆31Oct 26, 2026Updated last week
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆30Jan 16, 2024Updated 2 years ago
- QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry (JCIM 2025)☆12Oct 5, 2025Updated last year
- ☆38Jun 2, 2026Updated 5 months ago
- Token-Mol 1.0：tokenized drug design with large language model☆67Jun 1, 2026Updated 5 months ago
- few-shot compound activity regression☆12Aug 19, 2024Updated 2 years ago
- Data Integration and Processing for Computational Toxicology☆16Oct 7, 2026Updated 3 weeks ago
- ☆20Jun 21, 2022Updated 4 years ago
- Scripts and instructions to apply RiboTIE on Ribo-seq data☆20Jul 22, 2025Updated 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.
- Automating Data Extraction from Scientific Literature and General PDF Files Using Large Language Models and KNIME: An Application in Toxi…☆11Sep 4, 2026Updated last month
- decidables: Explorable Explanations of Decision Making☆11Jun 28, 2026Updated 4 months ago
- Energy-based Graph Convolutional Networks for Scoring Protein Docking Models☆11Aug 31, 2021Updated 5 years ago
- ☆44Jun 16, 2023Updated 3 years ago
- ☆12Oct 23, 2025Updated last year
- ☆14Apr 8, 2025Updated last year
- ☆16Oct 27, 2024Updated 2 years ago
- Adaptive checkpointing with specialization☆11Jul 9, 2025Updated last year
- The official repository for "Multi-channel learning for integrating structural hierarchies into context-dependent molecular representatio…☆15Feb 25, 2025Updated last year
- 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.
- ☆16Nov 5, 2024Updated last year
- Code and data in support of the research paper about robotized exploration of organic reaction spaces☆17Sep 26, 2025Updated last year
- Repository to store the code for publication reproducibility☆12Oct 11, 2024Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆48Oct 28, 2024Updated 2 years ago
- ☆10Mar 6, 2023Updated 3 years ago
- A place for the IEP community to share resources for data analysis☆13Sep 15, 2026Updated last month
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 4 years ago