alchemlybmakes alchemical free energy calculations easier to do by leveraging the full power and flexibility of the PyData stack. It includes: How to Cite If you use this software in your research, please cite it as follows: Wu, Z., Dotson, D. L., Alibay, I., Allen, B. K., Bar...
Although full atomistic alchemical free energy calculations offer the necessary precision, they are seldom used to assess high throughput data as they require significantly more computational resources. We generated a computational library using deep mutational scanning for dihydrofolate reductase (DHFR), a...
Repository:https://github.com/alchemistry/alchemlyb Branch with paper.md(empty if default branch): 71-joss-paper Version:2.3.0 Editor:@srmnitc Reviewers:@glycodynamics,@mikemhenry,@philbiggin Managing EiC:Kevin M. Moerman Status Status badge code: HTML: Markdown: [![status](https://joss....
When hunger beats at your door, you will feel inside you the energy to fight for yourselves and your children. ... To hatred I respond with pardon. And to those who think they have defeated me I reply with victory. I was the slave of the people, and today I free myself for ...