Skip to content

Latest commit

 

History

History
13 lines (8 loc) · 341 Bytes

README.md

File metadata and controls

13 lines (8 loc) · 341 Bytes

Faster Molecular Hessians

Reduce the amount of computation needed for Hessians using machine learning

Installation

The requirements for this project are defined using Anaconda.

Install the environment file appropriate for your system with a command similar to:

conda env create --file envs/environment-cpu.yml --force