AI drug design
☆60Nov 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☆48Nov 21, 2024Updated last year
- Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程☆73Oct 19, 2022Updated 3 years ago
- Public version of the AIDD consortium code base☆11Mar 25, 2025Updated last year
- Predicting PROTAC protein degradation activity via machine learning.☆17Sep 17, 2025Updated last year
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated 2 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.
- ☆20Nov 1, 2022Updated 3 years ago
- ☆23Oct 2, 2024Updated last year
- ☆20Jun 21, 2025Updated last year
- SailVina重构增强版☆107Apr 21, 2024Updated 2 years ago
- This repository contains setup instructions and the notebooks for the AI in drug discovery workshops☆24Mar 1, 2023Updated 3 years ago
- A Python spider for TCMSP☆44Feb 24, 2026Updated 7 months ago
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆21Oct 31, 2022Updated 3 years ago
- TransDTI: Transformer-based language models for estimating DTIs and building a drug-recommendation workflow☆14Oct 26, 2022Updated 3 years ago
- Awesome AI-aided Drug Discovery☆42Jun 6, 2024Updated 2 years ago
- 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.
- 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
- Official implementation of SketchMol.☆34Feb 14, 2025Updated last year
- A universal structure-directed lead optimization☆80Jan 30, 2026Updated 7 months ago
- ☆339Mar 24, 2024Updated 2 years ago
- LLMs for high-throughput mining and generation of antimicrobial peptides☆28Oct 10, 2025Updated 11 months ago
- Token-Mol 1.0:tokenized drug design with large language model☆67Jun 1, 2026Updated 3 months ago
- ☆14Jul 1, 2025Updated last year
- Electronic lab notebook for organic chemistry☆22Updated this week
- ☆19Dec 16, 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.
- Structure-based drug design based on Retrieval Augmented Generation☆29Nov 7, 2025Updated 10 months ago
- Modelling RBP binding preferences to predict RPB binding sites☆11Mar 4, 2021Updated 5 years ago
- How-to perform LAMMPS simulations☆16Nov 27, 2023Updated 2 years ago
- ☆20Jul 27, 2026Updated last month
- ☆45Jul 14, 2023Updated 3 years ago
- PDD: Awesome Phenotypic Drug Discovery☆41Oct 17, 2025Updated 11 months ago
- ☆21Oct 26, 2024Updated last year
- Prediction of pKa from chemical structure using machine learning approaches,molecular similarity and so on☆24Jun 17, 2024Updated 2 years ago
- [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design☆98Nov 30, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- DynamiSpectra: Decode molecular motion with precision and power☆24Sep 16, 2025Updated last year
- A novel approach to the classification of antimicrobial peptides (AMPs) using pre-trained language models to create contextual vectorized…☆18Sep 10, 2024Updated 2 years ago
- ☆15Jul 7, 2024Updated 2 years ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆21Oct 19, 2021Updated 4 years ago
- A software package for performing and visualising radial multivariable Mendelian randomization analyses☆13Aug 27, 2026Updated 3 weeks ago
- Modelling RBP binding preferences to predict RPB binding sites☆11Aug 11, 2023Updated 3 years ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago