Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

conda-forge.org : yank

YANK is a testbed for experimenting with algorithms for the efficient computation of small molecule binding free energies to biomolecular targets using alchemical methods. YANK is built on OpenMM, the API for molecular simulation, and uses its GPU-accelerated library implementation for hardware acceleration.

Registry - Source - Homepage - JSON
purl: pkg:conda/yank
Keywords: alchemical, alchemical-free-energy-calculations, drug-discovery, free-energy, free-energy-perturbation, molecular-dynamics, molecular-dynamics-simulation, mskcc, openmm, python
License: MIT
Latest release: over 3 years ago
First release: over 3 years ago
Dependent packages: 2
Dependent repositories: 1
Stars: 149 on GitHub
Forks: 68 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 8 days ago

    Loading...
    Readme
    Loading...