The code for SCAGE.
☆20Nov 30, 2025Updated 5 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:
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- ☆48Nov 9, 2023Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆122Sep 17, 2024Updated last year
- 3D molecular fingerprints (E3FP) paper repo☆14Mar 14, 2021Updated 5 years ago
- few-shot compound activity regression☆12Aug 19, 2024Updated last year
- 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.
- An Image-enhanced Molecular Graph Representation Learning Framework (IJCAI 2024)☆17Dec 24, 2024Updated last year
- ☆13Jun 7, 2024Updated last year
- ☆14Nov 5, 2024Updated last year
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Oct 28, 2024Updated last year
- ☆16Jun 16, 2022Updated 3 years ago
- ☆16Oct 27, 2024Updated last year
- A model named ATMOL for predicting molecular property☆10May 2, 2022Updated 4 years ago
- ☆13Aug 10, 2021Updated 4 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated 11 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆19Sep 4, 2025Updated 8 months ago
- Smash molecule and obtain significant fragments☆20Jun 17, 2021Updated 4 years ago
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated 2 years ago
- A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)☆24Dec 24, 2024Updated last year
- Subgraph-conditioned Graph Information Bottleneck (S-CGIB) is a novel architecture for pre-training Graph Neural Networks in molecular pr…☆15Nov 26, 2025Updated 5 months ago
- Source code accompanying the 'An end-to-end attention-based approach for learning on graphs' paper☆80Oct 13, 2025Updated 6 months ago
- ☆14Dec 26, 2024Updated last year
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆23Aug 30, 2023Updated 2 years ago
- ☆17Oct 17, 2023Updated 2 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.
- Official code for SPE☆18Sep 15, 2024Updated last year
- ☆12Mar 21, 2024Updated 2 years ago
- ☆103Apr 15, 2026Updated 2 weeks ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆27Aug 18, 2024Updated last year
- [MSSP 2023] Mutual-assistance semisupervised domain generalization network for intelligent fault diagnosis under unseen working condition…☆16Apr 3, 2024Updated 2 years ago
- ☆16Oct 28, 2024Updated last year
- ☆16Mar 16, 2023Updated 3 years ago
- DMsrTTLN code☆18Aug 25, 2024Updated last year
- Utilities for molecular volume calculation☆11Jun 4, 2018Updated 7 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.
- Official implementation of paper "An objective quantitative diagnosis of depression using a local-to-global multi-modal fusion graph neur…☆14Jan 13, 2025Updated last year
- This project introduces the details of the TropiCycloneNet Dataset☆20Sep 12, 2025Updated 7 months ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Aug 5, 2025Updated 9 months ago
- ☆16Jan 1, 2020Updated 6 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 2 years ago