AlphaFold
AlphaFold is a software package that provides an implementation of the inference pipeline of AlphaFold v2.0. This is a completely new model that was entered in CASP14 and pusblished in Nature.
Ascend
HOWTO: Use a Conda/Virtual Environment With Jupyter
The IPython kernel for a Conda/virtual environment must be installed on Jupyter prior to use. This tutorial will walk you though the installation and setup procedure.
OSC Classroom Support
CLASSROOM RESOURCES FOR DISTANCE LEARNING
If your class has lost or limited access to computer labs, the Ohio Supercomputer Center might be able to help by providing no-cost access to cloud computing resources. Classes and workloads of any size can gain access. OSC's web-browser interface to its substantial Linux computer systems provides novice users with virtual desktops preloaded with applications, such as MATLAB, RStudio, or Jupyter Notebook.
As an example, an OSU undergrad statistics class recently used iPads to remotely access RStudio on OSC systems.
Gaussian
Gaussian is a very popular general purpose electronic structure program. Recent versions can perform density functional theory, Hartree-Fock, Möller-Plesset, coupled-cluster, and configuration interaction calculations among others. Geometry optimizations, vibrational frequencies, magnetic properties, and solution modeling are available. It performs well as black-box software on closed-shell ground state systems.
HOW TO: Look at requested time accuracy using XDMoD
The XDMoD tool at xdmod.osc.edu can be used to get an overview of how accurate the requested time of jobs are with the elapsed time of jobs.
To request an amount of time for a job, you can use the following header.
#SBATCH --time=xx:xx:xx
The elapsed time is how long the job ran for before completing. This can be obtained for completed jobs using the sacct command.
PyTorch
PyTorch is an open source machine learning framework with GPU acceleration and deep neural networks that is based on the automatic differentiation in the Torch library of tensors.
XFdtd
XFdtd is an electromagnetic simulation solver. Its features analyze problems in antenna design and placement, biomedical and SAR, EMI/EMC, microwave devices, radar and scattering, automotive radar, and more.
Availability and Restrictions
Versions
The following versions of XFdtd are available on OSC clusters:
ffmpeg
FFmpeg is a free software project, the product of which is a vast software suite of libraries and programs for handling video, audio, and other multimedia files and streams.
Availability and Restrictions
Versions
The following versions of FFmpeg are available on OSC clusters:
CMake
CMake is a family of compilation tools that can be used to build, test and package software.
Availability and Restrictions
Versions
The current versions of CMake available at OSC are:
