KinDEL is a large DNA-encoded library dataset containing two kinase targets (DDR1 and MAPK14) for benchmarking machine learning models.
☆28Sep 2, 2025Updated 6 months ago
Alternatives and similar repositories for kindel
Users that are interested in kindel are comparing it to the libraries listed below
Sorting:
- Datasets for open forcefield parameterization and development☆11Sep 22, 2019Updated 6 years ago
- ☆12Apr 4, 2025Updated 11 months ago
- HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble…☆20Apr 17, 2023Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated last year
- Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery☆17Jul 12, 2024Updated last year
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆130Mar 16, 2023Updated 2 years ago
- Conformal Bayes with importance sampling☆23Oct 25, 2021Updated 4 years ago
- Chemical perception tree automated exploration tool.☆20Aug 14, 2018Updated 7 years ago
- Reference-free analysis of genetic architecture☆22Sep 21, 2024Updated last year
- Low-level primitives for collapsed Gibbs sampling in python and C++☆33Mar 27, 2024Updated last year
- ☆27Updated this week
- PharmaMind® is an innovative drug discovery platform that integrates advanced artificial intelligence and computational simulation design…☆26Sep 15, 2022Updated 3 years ago
- Authorea's TeX-based stylist.--Automatically style research documents☆26Oct 13, 2016Updated 9 years ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Feb 23, 2022Updated 4 years ago
- ☆41Jul 7, 2024Updated last year
- ☆40Jun 3, 2025Updated 9 months ago
- ☆35Oct 30, 2023Updated 2 years ago
- Material for the DataLucence:Images course☆10Jun 14, 2017Updated 8 years ago
- A single-cell transcriptomic analysis of endometriosis, endometriomas, eutopic endometrial samples and uninvolved ovary tissues highlight…☆18Jan 12, 2023Updated 3 years ago
- A function invocation framework for Python☆11Feb 21, 2024Updated 2 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆40Oct 30, 2023Updated 2 years ago
- Some tools for working with digraphs, partial orders and topological sorting with Python☆12Sep 7, 2011Updated 14 years ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- An easy-to-use and interactive web application for FragPipe☆13Jul 28, 2025Updated 7 months ago
- Web forms for Clojure and ClojureScript - rendering, parsing, and validating☆10Dec 3, 2015Updated 10 years ago
- small wiki engine based on static reST files and git for versionning☆25Oct 26, 2015Updated 10 years ago
- Implementation of Phase Coupling Estimation in Python and Matlab (see http://arxiv.org/abs/0906.3844 )☆16Feb 1, 2014Updated 12 years ago
- RTOS based on L4 microkernel.☆17Sep 18, 2018Updated 7 years ago
- Javafx Icons lib☆15Aug 14, 2025Updated 6 months ago
- A potential solution to the early-stage small molecule hit identification☆14Jan 27, 2026Updated last month
- Systematic Multi-Trait AAV Capsid Engineering for Efficient Gene Delivery (Eid et al., Nature Communications, 2024)☆11Aug 26, 2024Updated last year
- wwPDB PDBx/mmCIF Dictionary☆10Jan 28, 2026Updated last month
- ☆16Dec 2, 2025Updated 3 months ago
- Implementation of gene-level rare coding variant association tests targeting allelic series: cases where increasingly deleterious mutatio…☆14Oct 22, 2025Updated 4 months ago
- R markdown format and template for light-on-dark beamer presentations—with fussy extras.☆12Nov 1, 2021Updated 4 years ago
- A repository for the Petagraph project☆14Dec 11, 2025Updated 2 months ago
- Variational Auto Encoders for learning binding signatures of transcription factors☆14Mar 14, 2024Updated last year
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆16Feb 23, 2026Updated last week