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pairscore

A preliminary code to predict binding affinity from the pairwise distances between protein and ligand atoms

paradis_lib

Visualization library to work with the paraDIS dislocation dynamics code

parelag

Parallel element agglomeration algebraic multigrid upscaling and solvers.

parelagmc

Parallel element agglomeration multilevel Monte Carlo library.

pdbspheres

pennant

Unstructured mesh hydrodynamics for advanced architectures

perf-dump

Records per-process, per-timestep PAPI performance counter values. Saves them in an HDF5 file.

pf3dcomm

PF3DCOMM is an MPI benchmark that tests the performance of communication patterns used in pF3D, a laser-plasma simulation code developed at LLNL. The benchmark is intended for use in evaluating the effectiveness of HPC interconnects.

pf3dio

PF3DIO is an I/O benchmark that has I/O patterns similar to those in pF3D. pF3D is a laser-plasma simulation code developed at LLNL. The benchmark is written in the Yorick interpreted language and can be used to assess the performance of parallel file systems on HPC clusters.

pf3dk

PF3DK contains kernels derived from pF3D and is intended for use in testing compiler optimization. It contains CPU and GPU (OpenMP 4.5) versions of the kernels.

phloem

Phloem MPI Benchmarks

pips-sbb

Implementation of parallel branch-and-bound algorithm for stochastic (or block-angular) mixed-integer programs

pliner

pLiner is a framework that helps programmers identify locations in the source of numerical code that are highly affected by compiler optimizations.

pmgr_collective

pne_mtinv

Data processing routines and moment tensor inversion of PNE data

pnmpi

Virtualization Layer for the MPI Profiling Interface

polyclipper

PolyClipper provides methods to clip arbitrary polygons (in 2D) and polyhedra (in 3D) by planes.

polycube

Computational origami methods for edge unfoldings of polycubes

privateer

Multi-versioned memory-mapped data stores for high-performance data science

prorad

psuade

Problem Solving environment for Uncertainty Analysis and Design Exploration

psuade-lite

Lighter version of the Problem Solving environment for Uncertainty Analysis and Design Exploration (PSUADE)

py-hostlist

hostlist utility implemented in python

pyb11generator

PYB11Generator is a python based code generator that creates pybind11 code for binding C++ libraries as extensions in Python.

pydv

PyDV: Python Data Visualizer

pymmaopt

pynamic

The Python Dynamic Benchmark

pyorick

Run yorick from python

pypicfusion

A set of python scripts to perform nuclear fusion for an arbitrary distribution of ions

pyranda

A Python driven, Fortran powered Finite Difference solver for arbitrary hyperbolic PDE systems. This is the mini-app for the Miranda code.