AI drug design
☆48Nov 24, 2024Updated last year
Alternatives and similar repositories for AI-Drug-Discovery-Design
Users that are interested in AI-Drug-Discovery-Design are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Application of AIGC in drug design☆47Nov 21, 2024Updated last year
- Public version of the AIDD consortium code base☆11Mar 25, 2025Updated last year
- Predicting PROTAC protein degradation activity via machine learning.☆16Sep 17, 2025Updated 8 months ago
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated last year
- ☆20Nov 1, 2022Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Awesome AI-aided Drug Discovery☆37Jun 6, 2024Updated last year
- SailVina重构增强版☆100Apr 21, 2024Updated 2 years ago
- Official implementation of SketchMol.☆33Feb 14, 2025Updated last year
- ☆32Aug 28, 2025Updated 8 months ago
- A Python spider for TCMSP☆44Feb 24, 2026Updated 2 months ago
- ☆14Jul 1, 2025Updated 10 months ago
- ☆340Mar 24, 2024Updated 2 years ago
- This repository contains a QSAR model that predicts the ability of a chemical compound to inhibit the gene associated with Alzheimer's, B…☆11Oct 1, 2021Updated 4 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A universal structure-directed lead optimization☆75Jan 30, 2026Updated 3 months ago
- ☆41Jul 14, 2023Updated 2 years ago
- A software package for performing and visualising radial multivariable Mendelian randomization analyses☆13May 3, 2026Updated 2 weeks ago
- ☆22Oct 2, 2024Updated last year
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Prediction of pKa from chemical structure using machine learning approaches,molecular similarity and so on☆25Jun 17, 2024Updated last year
- A novel approach to the classification of antimicrobial peptides (AMPs) using pre-trained language models to create contextual vectorized…☆17Sep 10, 2024Updated last year
- [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design☆96Nov 30, 2024Updated last year
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆20Oct 31, 2022Updated 3 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.
- ☆21Oct 26, 2024Updated last year
- An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to br…☆37Feb 3, 2026Updated 3 months ago
- ☆19Dec 16, 2024Updated last year
- The gsmr R-package implements the GSMR (Generalised Summary-data-based Mendelian Randomisation) method that uses GWAS summary statistics …☆21Apr 26, 2024Updated 2 years ago
- Modelling RBP binding preferences to predict RPB binding sites☆11Aug 11, 2023Updated 2 years ago
- ☆14Jul 7, 2024Updated last year
- Official implementation of "BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design" (Advan…☆31Jul 24, 2025Updated 9 months ago
- 基于YoloV3和行人重识别模型的特定行人检索☆12May 25, 2022Updated 3 years ago
- Data and code for the Effector index☆14Oct 13, 2020Updated 5 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Antibody-Specific Epitope Mapping☆18Sep 10, 2025Updated 8 months ago
- PROTAC-Splitter is a machine learning framework designed for automated annotation of PROTAC substructures.☆24Jul 13, 2025Updated 10 months ago
- ☆19Feb 25, 2026Updated 2 months ago
- ☆15Jun 24, 2024Updated last year
- Code for ApoDock☆20Apr 7, 2025Updated last year
- Token-Mol 1.0:tokenized drug design with large language model☆63Dec 9, 2025Updated 5 months ago
- Methods for training and interpreting deep radiogenomic neural networks☆14May 4, 2020Updated 6 years ago