Discover pnnl/deimos Open Source project

Python package for hypergraph analysis and visualization.

904

HyperNetX

safekit

SHAD

Scalable High-performance Algorithms and Data-structures

OpenCGRA is an open-source framework for modeling, testing, and evaluating CGRAs.

122

OpenCGRA

Verilog

NWGraph

Complete Project Documentation

cmaputil

A low-level OpenQASM benchmark suite for NISQ evaluation and simulation. Please see our paper for details.

QASMBench

High-performance power grid optimization for stochastic, security-constrained, and multi-period ACOPF problems.

ExaGO

In silico chemical library engine for high-accuracy chemical property prediction

isicle

DM-Sim: Quantum Simulator on GPU Cluster using Density Matrix

DM-Sim

Differentiable predictive control (DPC) policy optimization examples.

deps_arXiv2020

MATLAB

lamellar-runtime

Lamellar is an asynchronous tasking runtime for HPC systems developed in RUST

Rust

DHSVM-PNNL

tesp

COMET

soda-opt

A C++ Library for Influence Maximization

ripples

darkchem

ChemReasoner - Catalyst Discovery via Large Language Model-driven Reasoning

TCBNN

Cuda

chemreasoner

Chapel HyperGraph Library (CHGL) - HPC-class Hypergraphs in Chapel

chgl

Chapel

SLiCE

Subgraph Based Learning of Contextual Embedding

Global Memory and Threading runtime system

gmt

chissl

Interactive machine learning interface

This package includes the implementation for four sparse linear algebra kernels: Sparse-Matrix-Vector-Multiplication (SpMV), Sparse-Triangular-Solve (SpTRSV), Sparse-Matrix-Transposition (SpTrans) and Sparse-Matrix-Matrix-Multiplication (SpMM) for Single-node Multi-GPU (scale-up) platforms such as NVIDIA DGX-1 and DGX-2.

s-blas

MSAC

socialsim

A C++ based quantum transpiler for NISQ devices

qasmtrans

LLM Agent that leverages cheminformatics tools to provide informed responses.

cactus

torchntk

Unique Building Identifier (UBID)

buildingid

mol_dgnn

Molecular Dynamic Graph Neural Network

Python library for analyzing the internal structure of deep neural networks.

DeepDataProfiler

MerCat: python code for versatile k-mer counting and diversity estimation for database independent property analysis for meta -ome data

mercat

leapR

E4D

Standard ML

socialsim_package

A high-dimensional Kolmogorov-Smirnov distance for comparing high dimensional distributions

DDKS

Drop-in replacements for PyTorch nn.Linear for stable learning and inductive priors in physics informed machine learning applications.

GridSTAGE

MATLAB

slim

Cuda

pychip_gui

pyCHIP is a tool for segmentation and feature classification in transmission electron microscopy (TEM) images based on a small support set of user-provided examples.

NWQ-Sim

sven

The programming runtime and interfaces for ARENA.

arena

📈 Extensible quality control dashboard built around FASTQ assessment.

fqc

Unique Building Identifier (UBID)

buildingid-py

💯 Snakemake-based amplicon processing protocol for 16S and ITS sequences.

hundo

SV-Sim: Scalable PGAS-based State Vector Simulation of Quantum Circuits

memgaze

SV-Sim

Neural-Modules-for-Differential-Algebraic-Equations

Flow routing using a hexagonal grid.

rofi

hexwatershed

HiParTI

solubility-prediction-paper

Make custom blueprint.css styles

blueprint-styler

TypeScript

copper

Performance curve generator for building energy simulation

hypernetx-widget

Database of building energy standards data for building energy simulation.

building-energy-standards-data

eqc

ANIMATE

Interconnection Innovation e-Xchange (i2x) Test Systems

i2x

esteem

psl

GeoCLUSTER is a Python-based web application that provides a collection of interactive methods for streamlining the visualization of the technical and economic modeling of closed-loop geothermal systems.

GeoCLUSTER

mcl

grid_prediction

ruleset-checking-tool

ConStrain is a data-driven knowledge-integrated framework that automatically verifies that building system controls function as intended.

ARTS

Abstract RunTime System

ConStrain

A tool for developing parametric inputs for other software.

gparm

Perl

sds

Differentiable Mixed-Integer Programming Layers

DMIPL

brislawn-2018-founders-species

🦠 📓 a microbiome paper

DPC_for_robotics

AutoMicroED

Extract features from time series using moving windows of regression fits

qFeature

Fortran 90 source code, example problems, and output conversion scripts for the STOMP-W simulator.

STOMP-W

Fortran

lamellar

Lamellar is an asynchronous tasking runtime for HPC systems developed in RUST

ThermalTracker

Active sampling for neural network potentials: Accelerated simulations of shear-induced deformation in Cu–Ni multilayers

Active-Sampling-for-Atomistic-Potentials

NWPEsSE

NWHypergraph

nwqbench

nmrfit

Quantitative NMR analysis through least-squares fit of spectroscopy data

Learning to Optimize with Proximal Operators (LOPO)

LOPO

Open source data set for radio frequency machine learning research

DieselWolf

Second Order Optimizers for Machine Learning

pytorch_soo

Generalized block diagram modeling of power electronic converters for grid solar and storage applications.

pecblocks

external_sort

conformer_selection

neural_ODE_ICLR2020

sppsi_cppf

Simulate microstructure evolution using the coupled CP and PF methods for the SPPSI project.

GLSL

rsed

Stream editing in R: Manipulating text files with insertions, replacements, deletions, substitutions, and commenting

ssass-e

SSASSE software is responsible for validating, and verifying innovative safe scanning methodologies, models, architectures, and prototypes to safely assess operational technology (OT) installed in critical energy infrastructure.

OpenEDI - System Integration (OEDI-SI) - PNNL Distributed Optimal Power Flow (DOPF)

oedisi_dopf

The DREAM tool is an optimization software that determines subsurface monitoring configurations which detect carbon dioxide (CO2) leakage in the least amount of time. DREAM reads ensembles of CO2 leakage scenarios and determines optimal monitoring locations and techniques to deploy based on user-identified constraints. These data result in well configurations with the highest potential to detect leakage and minimize aquifer degradation in the shortest amount of time. DREAM was developed as part of the National Risk Assessment Partnership.

DREAM_V2

Java

pakman

PaKman: A Scalable Algorithm for Generating Genomic Contigs on Distributed Memory Machines

renyiqnets