Official implementation of DrugGEN in PyTorch
☆12Oct 27, 2023Updated 2 years ago
Alternatives and similar repositories for DrugGEN
Users that are interested in DrugGEN are comparing it to the libraries listed below
Sorting:
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆92Oct 30, 2025Updated 4 months ago
- AI for a cure, a combination of Latent-GAN and VAE-JTNN to create 100% valid drug like molecules☆10Mar 16, 2020Updated 5 years ago
- ☆31Jun 19, 2025Updated 8 months ago
- Comprehensive Resource of Biomedical Relations with Deep Learning Applications and Knowledge Graph Representations☆33Nov 3, 2023Updated 2 years ago
- The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical…☆35Feb 3, 2026Updated last month
- 中国科学院大学电子学院专业核心课-现代数字信号处理课程资料-张颢老师☆24Jun 5, 2025Updated 8 months ago
- K-RET: Knowledgeable Biomedical Relation Extraction System☆10Feb 22, 2025Updated last year
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Jun 16, 2020Updated 5 years ago
- ☆25Dec 15, 2025Updated 2 months ago
- A collection of heat engines, based on the OpenAI Gym environment framework for use with reinforcement learning applications.☆15Dec 20, 2021Updated 4 years ago
- Data visualization workshop☆11May 12, 2020Updated 5 years ago
- ☆13Jun 23, 2025Updated 8 months ago
- Software for analyzing high dimensional dose-response data☆19Dec 26, 2025Updated 2 months ago
- Anomaly detection in time-series networks. Spatio-temporal Anomaly Detection☆12Jan 9, 2020Updated 6 years ago
- This is the repository for the single-cell transcriptomics application of the Deep Generative Decoder (DGD), developed by the Krogh group…☆15Aug 8, 2024Updated last year
- Official Implementation of Multi-Masked Aggregators for Graph Neural Networks in Pytorch and PyTorch Geometric☆11Mar 24, 2023Updated 2 years ago
- ☆11Apr 11, 2023Updated 2 years ago
- [NeurIPS 2022] Explaining Graph Neural Networks with Structure-Aware Cooperative Games (GStarX)☆14Oct 20, 2022Updated 3 years ago
- Some useful things while 集中教学 in Yan Qi Lake, Beijing：国科大人文讲座脚本☆11Jul 23, 2024Updated last year
- 🔍 Enable AI assistants to search and access ClinicalTrials.gov data through a simple MCP interface.☆15Apr 9, 2025Updated 10 months ago
- Repository for DCIS segmentation pipeline☆11Nov 22, 2022Updated 3 years ago
- [ICLR 2021] Group Equivariant Generative Adversarial Networks.☆14May 6, 2021Updated 4 years ago
- BioContextAI Knowledgebase MCP server for biomedical agentic AI☆20Jan 12, 2026Updated last month
- Multi-omics module that includes RNAseq, Epigenetics, and integrated multi-omics analyses developed as part of the NIGMS Sandbox project☆11Jun 6, 2025Updated 8 months ago
- ☆17May 23, 2025Updated 9 months ago
- The Agentic BioML Challenge + AutoBioML framework☆18Jun 3, 2025Updated 9 months ago
- ☆10Mar 7, 2024Updated last year
- This is a curated list of research papers, resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.☆62Apr 1, 2024Updated last year
- The official implementation of the paper "MotifRetro: Exploring the Combinability-Consistency Trade-offs in retrosynthesis via Dynamic Mo…☆11Jun 25, 2023Updated 2 years ago
- Code to analyze the data from DNA-encoded libraries (DELs)☆11Jul 12, 2023Updated 2 years ago
- This is the pipeline of our new article "Enzyme Co-Scientist: Harnessing Large Language Models for Enzyme Kinetic Data Extraction from Li…☆16May 23, 2025Updated 9 months ago
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆14Jan 22, 2024Updated 2 years ago
- SIGnature is a Python package that empowers researchers to rapidly query gene sets across diverse single-cell RNA sequencing (scRNA-seq) …☆23Dec 12, 2025Updated 2 months ago
- Machine Learning module for cloud-based analyses developed as part of the NIGMS Sandbox Project☆18Jun 6, 2025Updated 8 months ago
- This project is based on an improved Wav2Lip model, achieving synchronization between audio and video lip movements to enhance video prod…☆16Jul 10, 2024Updated last year
- ☆12May 21, 2024Updated last year
- Bencharking pipeline for evaluating Transcriptomic representations for perturbation tasks☆12Nov 5, 2024Updated last year
- A tiny package manager for crucial unix and bioinformatics tools☆27Apr 30, 2015Updated 10 years ago
- A Deep Dive into Object Oriented Programming in Python january 2020 - february 2020☆13Jun 25, 2020Updated 5 years ago