blog_posts: 080dcdb9f3
This data as json
id | createdDate | title | link | postExcerpt | featuredImageUrl | hash | contributors | modifiedDate | displayDate |
---|---|---|---|---|---|---|---|---|---|
blog-posts#60-624 | 2021-11-02 16:59:57 | Running 20k simulations in 3 days to accelerate early stage drug discovery with AWS Batch | https://aws.amazon.com/blogs/hpc/running-20k-simulations-in-3-days-with-aws-batch/ | In this blog post, we’ll describe an ensemble run of 20K simulations to accelerate the drug discovery process, while also optimizing for run time and cost. We used two popular open-source packages — GROMACS, which does a molecular dynamics simulations, and pmx, a free-energy calculation package from the Computational Biomolecular Dynamics Group at Max Planck Institute in Germany. | 080dcdb9f3 | Christian Kniep | 2021-11-02 17:09:03 | 02 Nov 2021 |
Links from other tables
- 9 rows from blog_post_hash in blog_post_tags