Tag Archives: NAMD

DeepChem – a Deep Learning Framework for Drug Discovery

A powerful new open source deep learning framework for drug discovery is now available for public download on github. This new framework, called DeepChem, is python-based, and offers a feature-rich set of functionality for applying deep learning to problems in … Continue reading

Benchmarking NAMD on a GPU-Accelerated HPC Cluster with NVIDIA Tesla K40

This is a tutorial on the usage of GPU-accelerated NAMD for molecular dynamics simulations. We make it simple to test your codes on the latest high-performance systems – you are free to use your own applications on our cluster and … Continue reading