stardj / PharmHGTView external linksLinks
Repo of pharmacophoric constrained heterogeneous-graph-transformer
☆17Mar 30, 2023Updated 2 years ago
Alternatives and similar repositories for PharmHGT
Users that are interested in PharmHGT are comparing it to the libraries listed below
Sorting:
- ☆11Dec 18, 2023Updated 2 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Jun 30, 2022Updated 3 years ago
- ☆31Feb 22, 2022Updated 3 years ago
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated last year
- ☆15Nov 4, 2024Updated last year
- Official implementation of SMART: Towards Pre-trained Missing-Aware Model for Patient Health Status Prediction☆20Mar 19, 2025Updated 10 months ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆22Aug 30, 2023Updated 2 years ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Dec 14, 2022Updated 3 years ago
- ☆22Sep 27, 2024Updated last year
- AAAI-23 paper: Context-aware Safe Medication Recommendations with Molecular Graph and DDI Graph Embedding☆18Nov 11, 2025Updated 3 months 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
- ☆22Mar 30, 2023Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Sep 20, 2021Updated 4 years ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆29Jun 24, 2025Updated 7 months ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Aug 6, 2025Updated 6 months ago
- ☆63Oct 25, 2022Updated 3 years ago
- ICLR 2023 paper - ManyDG - Dataset processing and mode codes☆24Apr 14, 2024Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆122Sep 17, 2024Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆71Apr 17, 2024Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆39Feb 14, 2020Updated 6 years ago
- Some resources (books, paper, video and online courses) about ML,DL,DM☆12Mar 14, 2021Updated 4 years ago
- [ACL 2024] This is the code for our paper ”RAM-EHR: Retrieval Augmentation Meets Clinical Predictions on Electronic Health Records“.☆41Sep 19, 2024Updated last year
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Oct 15, 2022Updated 3 years ago
- Knowledge-Based System'25☆11Dec 15, 2024Updated last year
- An updated version of eICU Benchmark with an updated problem definition on LoS and Decompensation tasks☆11Aug 12, 2021Updated 4 years ago
- 机器学习(Machine Learning)、深度学习(Deep Learning)、对抗神经网络(GAN），图神经网络（GNN），NLP，大数据相关的发展路书(roadmap), 并附海量源码（python，pytorch）带大家消化基本知识点，突破面试，完成从新手到合格…☆10Feb 25, 2020Updated 5 years ago
- A LLM-based Agent Framework for Drug Discovery☆20Jan 11, 2026Updated last month
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Jan 3, 2024Updated 2 years ago
- These are the official datasets used on the Medicare.gov Hospital Compare Website provided by the Centers for Medicare & Medicaid Service…☆10Mar 12, 2018Updated 7 years ago
- K-RET: Knowledgeable Biomedical Relation Extraction System☆10Feb 22, 2025Updated 11 months ago
- 🐯REPLICA of "Auction-based combinatorial multi-armed bandit mechanisms with strategic arms"☆11Dec 17, 2023Updated 2 years ago
- Source code for "A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Profession…☆90Sep 6, 2023Updated 2 years ago
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆99Mar 18, 2023Updated 2 years ago
- ☆39May 22, 2023Updated 2 years ago
- The official implementation of dual-view molecule pre-training.☆43Nov 22, 2021Updated 4 years ago
- [arXiv'24] The official implementation code of LEADER.☆43Aug 31, 2024Updated last year
- ☆47Oct 25, 2023Updated 2 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆46Sep 9, 2024Updated last year