KinDEL is a large DNA-encoded library dataset containing two kinase targets (DDR1 and MAPK14) for benchmarking machine learning models.
☆31Sep 2, 2025Updated last year
Alternatives and similar repositories for kindel
Users that are interested in kindel are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Apr 4, 2025Updated last year
- ☆34Feb 27, 2026Updated 6 months ago
- Predicts small molecule - protein interaction affinities using convolutional representations of distance-dependent interactions with atte…☆19Sep 22, 2025Updated last year
- Deployment example for a scikit-learn/lightgbm pipeline☆10Feb 28, 2021Updated 5 years ago
- Code to build the Target Central Resource Database (TCRD).☆11Jul 20, 2021Updated 5 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.
- Datasets for open forcefield parameterization and development☆11Sep 22, 2019Updated 7 years ago
- ☆45Updated this week
- UMM-Discovery is a fully unsupervised deep learning method to cluster cellular images with similar phenotypes together, solely based on t…☆11Nov 4, 2020Updated 5 years ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 4 years ago
- ☆13Apr 1, 2021Updated 5 years ago
- insitro's repository for public research code and data☆24Dec 1, 2025Updated 9 months ago
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆27Sep 15, 2022Updated 4 years ago
- This reposatory includes all scripts necessary to calculate the GRAil-based DEscriptor (GRADE) and the eXtended GRAil-based DEscriptor (X…☆13May 17, 2026Updated 4 months ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 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.
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆42Oct 30, 2023Updated 2 years ago
- ☆13Feb 24, 2021Updated 5 years ago
- ☆10May 17, 2021Updated 5 years ago
- A foundational package for molecular predictive modelling☆96Oct 16, 2024Updated last year
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- Hierarchical template correction for chemical reactions☆23Aug 9, 2024Updated 2 years ago
- An easy-to-use and interactive web application for FragPipe☆15Mar 8, 2026Updated 6 months ago
- ☆34Updated this week
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆63Feb 23, 2022Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Reference-free analysis of genetic architecture☆23Sep 21, 2024Updated 2 years ago
- A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according …☆15Jul 13, 2022Updated 4 years ago
- Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery☆17Jul 12, 2024Updated 2 years ago
- autoprot provides standardised, fast, and reliable proteomics data analysis while ensuring a high customisability needed to tailor the an…☆12Jul 22, 2026Updated 2 months ago
- ☆42Jun 9, 2026Updated 3 months ago
- De novo drug design with deep interactome learning☆43Mar 20, 2026Updated 6 months ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- Variational Auto Encoders for learning binding signatures of transcription factors☆15Mar 14, 2024Updated 2 years ago
- Application for detecting functional groups of a molecules.☆17Jul 17, 2023Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Conformal Bayes with importance sampling☆24Oct 25, 2021Updated 4 years ago
- Package to analyze Mass Spec Data☆13Aug 24, 2023Updated 3 years ago
- ☆20Sep 14, 2024Updated 2 years ago
- Cache the return values of your Python functions with a simple decorator.☆11Jan 17, 2017Updated 9 years ago
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 7 years ago
- ☆42Jun 3, 2025Updated last year
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago