Repo of pharmacophoric constrained heterogeneous-graph-transformer
☆17Mar 30, 2023Updated 3 years ago
Alternatives and similar repositories for PharmHGT
Users that are interested in PharmHGT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆11Dec 18, 2023Updated 2 years ago
- ☆12May 28, 2024Updated 2 years ago
- KerPrint: Local-Global Knowledge Graph Enhanced Diagnosis Prediction for Retrospective and Prospective Interpretations (AAAI-2023)☆13Nov 30, 2022Updated 3 years ago
- ☆23Mar 30, 2023Updated 3 years ago
- Drug repositioning based on Heterogeneous network and Text Mining☆14Jun 15, 2021Updated 5 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.
- ☆16Nov 4, 2024Updated 2 years ago
- This is the official code for "Multimodal Pretraining of Medical Time Series and Notes" at Machine Learning for Health 2023☆21Jan 6, 2025Updated last year
- AAAI-23 paper: Context-aware Safe Medication Recommendations with Molecular Graph and DDI Graph Embedding☆19Nov 11, 2025Updated 11 months ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆132Sep 17, 2024Updated 2 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Jun 30, 2022Updated 4 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Dec 14, 2022Updated 3 years ago
- Official implementation of SMART: Towards Pre-trained Missing-Aware Model for Patient Health Status Prediction☆21Mar 19, 2025Updated last year
- K-Means clustering of molecules with the FASS library from Facebook AI Research☆11Apr 22, 2019Updated 7 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆23Aug 30, 2023Updated 3 years 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.
- Harmonized Representation Learning on Dynamic EHR Graphs☆11May 25, 2020Updated 6 years ago
- [KDD 2026] Chem-R: Learning to Reason as a Chemist☆32Oct 19, 2025Updated last year
- Reaction Cime☆14Jun 18, 2024Updated 2 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 5 months ago
- DGCL: Distance-wise and Graph Contrastive Learning for Recommending Medication Combination.☆12Nov 19, 2022Updated 3 years ago
- ICLR 2023 paper - ManyDG - Dataset processing and mode codes☆24Apr 14, 2024Updated 2 years ago
- CompBioAgent: An LLM-powered agent for single-cell RNA-seq data exploration. https://doi.org/10.1101/2025.03.17.643771☆16Apr 25, 2025Updated last year
- This system combines the power of conversational chatbot interfaces with advanced disease prediction algorithms, enabling users to receiv…☆12Mar 20, 2025Updated last year
- 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.
- Molecular property prediction using functional groups☆14Jun 12, 2026Updated 4 months ago
- Detecting Sequence Signals in Targeting Peptides Using Deep Learning☆14Sep 5, 2019Updated 7 years ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆34Jun 24, 2025Updated last year
- Code for TKDE paper: Patient Health Representation Learning via Correlational Sparse Prior of Medical Features.☆11Jan 5, 2023Updated 3 years ago
- ☆12Dec 15, 2024Updated last year
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆32Oct 13, 2026Updated 3 weeks ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 3 years ago
- ☆15Mar 4, 2019Updated 7 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- 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.
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated last year
- ☆66May 25, 2021Updated 5 years ago
- AI4Chem is a code to test the ability of large language models (ChatGPT) to comprehend Chemistry.☆25Aug 5, 2025Updated last year
- G-K BertDTA is a research tool facilitating drug-target interaction prediction. Leveraging multi-modal data integration and advanced mach…☆14Nov 22, 2023Updated 2 years ago
- ☆12Jun 14, 2025Updated last year
- K-RET: Knowledgeable Biomedical Relation Extraction System☆11Feb 22, 2025Updated last year
- The official implementation of dual-view molecule pre-training.☆44Nov 22, 2021Updated 4 years ago