choderalab/construct-selection
Automated construct selection using molecular simulation
Public repository discovered through GitHub real-time crawl.
Public repository record indexed from GitHub. Explore verified star velocity metrics, source code repositories, and curated developer tool directories across the GitHubRepo ecosystem.
Automated construct selection using molecular simulation
Scripts for analyzing simulations of kinases!
Results of PDB-wide metal analyses
Code and examples for the CECAM workshop "Developing interoperable and portable molecular simulation libraries"