☆218Oct 15, 2022Updated 3 years ago
Alternatives and similar repositories for Graph-Neural-Networks-in-Life-Sciences
Users that are interested in Graph-Neural-Networks-in-Life-Sciences are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python package for graph neural networks in chemistry and biology☆801Nov 1, 2023Updated 2 years ago
- ☆115Apr 17, 2023Updated 3 years ago
- A powerful and flexible machine learning platform for drug discovery☆1,575Aug 12, 2024Updated last year
- Raw data and analysis of scRNA Seq experiments for the paper Multimodal Mapping of the Immune Landscape in Human Pancreatic Cancer. This …☆15Nov 30, 2020Updated 5 years ago
- An elementary MD simulation program written in python☆24Sep 29, 2021Updated 4 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.
- Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"☆28Jul 9, 2022Updated 3 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆537Jun 17, 2023Updated 2 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Jan 14, 2023Updated 3 years ago
- ☆66Jun 14, 2025Updated 10 months ago
- A Molecular Stereostructure Descriptor based on Spherical Projection☆13Nov 14, 2025Updated 5 months ago
- A knowledge graph and a set of tools for drug repurposing☆681Apr 19, 2022Updated 4 years ago
- Evaluation of physicochemical and ADMET properties as an important stage of the drug design process – prediction, interpretation, and opt…☆17Apr 20, 2025Updated last year
- A specialized LLM for study search, study screening, and data extraction from medical literature.☆28Mar 10, 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.
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆111Jul 20, 2023Updated 2 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆202Feb 12, 2023Updated 3 years ago
- ☆29Sep 13, 2024Updated last year
- Strategies for Pre-training Graph Neural Networks☆1,058Jul 29, 2023Updated 2 years ago
- A collection of *fold* tools☆305Aug 8, 2025Updated 8 months ago
- Evolutionary Scale Modeling (esm): Pretrained language models for proteins☆4,059Feb 7, 2024Updated 2 years ago
- my own studied materials and scripts☆64Jan 20, 2026Updated 3 months ago
- Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data☆12Sep 19, 2024Updated last year
- ☆19Sep 14, 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.
- Graph Neural Network model for survival analysis from multi-omics data☆14Mar 9, 2022Updated 4 years ago
- ☆21Dec 23, 2024Updated last year
- Python and C++ library to process both experimental and simulation data of colloidal particles.☆15Sep 2, 2021Updated 4 years ago
- This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data☆388Feb 25, 2026Updated 2 months ago
- ☆69May 11, 2022Updated 3 years ago
- Code for paper "Principled feature attribution for unsupervised gene expression analysis"☆12Mar 7, 2023Updated 3 years ago
- ☆259Jul 31, 2024Updated last year
- Bi-Level Graph Neural Networks for Drug-Drug Interaction Prediction. ICML 2020 Graph Representation Learning and Beyond (GRL+) Workshop☆30Oct 6, 2020Updated 5 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆212Sep 20, 2022Updated 3 years ago
- 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.
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆336Jan 10, 2024Updated 2 years ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Jun 1, 2020Updated 5 years ago
- Ensemble learning with graph neural networks for disease module discovery and classification☆11Nov 5, 2023Updated 2 years ago
- Source code for "A universal framework for accurate and efficient geometric deep learning of molecular systems" (Nature Scientific Report…☆72Nov 12, 2025Updated 5 months ago
- Listing of papers about machine learning for proteins.☆1,701May 31, 2024Updated last year
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆319Jun 13, 2025Updated 10 months ago