Discover lanl/minervachem Open Source project

pyxDamerauLevenshtein implements the Damerau-Levenshtein (DL) edit distance algorithm for Python in Cython for high performance.

332

pyxDamerauLevenshtein

Codes accompanying the paper "Quantum algorithm implementations for beginners"

241

quantum_algorithms

Vector Particle-In-Cell (VPIC) Project

188

vpic

yelpapi is a pure Python implementation of the Yelp Fusion API (aka Yelp v3 API).

151

yelpapi

Code Analysis and Refactoring with Clang Tools

135

CoARCT

Los Alamos Grid Toolbox (LaGriT) is a library of user callable tools that provide mesh generation, mesh optimization and dynamic mesh maintenance in two and three dimensions.

122

LaGriT

Dynamic object-oriented programming support for the Go language

122

goop

109

scico

Scientific Computational Imaging COde

Parallel version of the Bash shell

MPI-Bash

pyHarmonySearch

pyHarmonySearch is a pure Python implementation of the harmony search (HS) global optimization algorithm.

dfnWorks is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. If you download the software please fill out our interest form to stay up to date on releases https://goo.gl/forms/VE39oKsyp4LVC6Gj2 and join our google group https://groups.google.com/d/forum/dfnworks-users . Precompiled Docker Container https://hub.docker.com/r/ees16/dfnworks

dfnWorks

Cell-Based Adaptive Mesh Refinement

CLAMR

python library for atomistic machine learning

hippynn

mcnptools

Parthenon AMR infrastructure

parthenon

A collection of codes with OpenFWI project

OpenFWI

MF-LBM: A Portable, Scalable and High-performance Lattice Boltzmann Code for DNS of Flow in Porous Media

MF-LBM

Program analysis tool based on software performance counters

Byfl

Finite Element Heat and Mass Transfer Code

FEHM

GLSL

PPT

Performance Prediction Toolkit

SNAP

SN Application Proxy

This folder of code contains code and notebooks to supplement the "Vision Transformers Explained" series published on Towards Data Science written by Skylar Callis.

vision_transformers_explained

Phifty One Ergs Blows Up A Star

phoebus

vpic-kokkos

Kokkos port of VPIC

Go language bindings for the COIN-OR Linear Programming library

clp

LATTE

Developer repository for the LATTE code

The Basic Matrix Library (bml)

bml

VPSC_code

Visco Plastic Self Consistent code

TeX

Architector

The architector python package - for 3D metal complex design. C22085

an interface to semi-empirical quantum chemistry methods implemented with pytorch

PYSEQM

ADS Codex is a codec for organic molecular archives.

adscodex

Fierro

Fierro is a C++ code designed to aid the research and development of numerical methods, testing of user-specified models, and creating multi-scale models related to quasi-static solid mechanics and compressible material dynamics using low- and high-order meshes.

ExactPack: An Open-Source Software Package for Code Verification

ExactPack

Blackout-Diffusion

A framework for performing active learning for training machine-learned interatomic potentials.

ALF

General Relativistic Neutrino Radiation Magnetohydrodynamics for Neutron Star Merger Disks

nubhlight

SEPIA

Simulation-Enabled Prediction, Inference, and Analysis: physics-informed statistical learning.

Auto-parallelizing Pure Functional Language

QA-Prolog

Quantum Annealing Prolog

APPFL

Haskell

SICM

Simplified Interface to Complex Memory

color

studies on color, colormaps, and colorspaces

singularity-eos

Performance portable equations of state and mixed cell closures

CGMF nuclear fission fragment de-excitation statistical code

CGMF

An application for parameterization of biological models available in SBML and BNGL formats. Features include parallelization, metaheuristic optimization algorithms, and an adaptive Markov chain Monte Carlo (MCMC) sampling algorithm.

PyBNF

Go language interface to the Libcircle distributed-queue API

circle

PISTON

A Portable Cross-Platform Framework for Data-Parallel Visualization Operators

MATAR is a C++ software library to allow developers to easily create and use dense and sparse data representations that are also portable across disparate architectures using Kokkos.

MATAR

Run hardware descriptions on a quantum annealer

edif2qmasm

PENNANT

Unstructured mesh hydrodynamics for advanced architectures

Dynamic execution environments for coupled, thread-heterogeneous MPI+X applications

libquo

pyDNMFk

Python Distributed Non Negative Matrix Factorization with custom clustering

PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.

qmd-progress

The C++ ELEMENTS library contains a suite of sub-libraries to support mathematical functions (elements), data representations (MATAR), and novel mesh classes (geometry and SWAGE) to support a very broad range of element types, numerical methods, and mesh connectivity data structures useful for computational physics and engineering.

ELEMENTS

Bayesian Adaptive Spline Surfaces for flexible and automatic regression

pyBASS

Exascale papers and presentations

ExascaleDocs

Shell

FLPR

FLPR: The Fortran Language Program Remodeling system

MAUD Interface Language Kit (MILK) is a set of Rietveld tools for automated processing of diffraction datasets.

MILK

Go language interface to the PAPI performance API

go-papi

VizAly-Foresight

A compression benchmark suite

A neutral particle transport mini-app to study performance of sweeps on unstructured, 3D tetrahedral meshes.

tycho2

Pavilion

HPC testing harness

Create Robust Links from within Zotero

Zotero-Robust-Links-Extension

JavaScript

COVID-19-Predictions

Daily Forecasting of New Cases for Regional Epidemics of Coronavirus Disease 2019 with Bayesian Uncertainty Quantification

BEE

A parallel unstructured mesh framework for multiphysics application

jali

Scout -- Domain Specific Language & Toolchain

scout

Continuum Dynamics Evaluation and Test Suite

CODY

Python Distributed Non Negative Tensor Networks

pyDNTNK

gridder is a simple interactive grid generation tool for creating 2D and 3D orthogonal grids. Used at Los Alamos National Laboratory (EES Group).

gridder

branson

A Monte Carlo transport mini-app for studying new parallel algorithms

A compact hash algorithm for CPUs and GPUs using OpenCL

benchmarks

Benchmarks

CompactHash

Phase-Field-Dislocation-Dynamics-PFDD

Phase field model for material science applications.

PerfectHash

A perfect hash code for CPUs and GPUs using OpenCL

LAVA

Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with LAMMPS and VASP. The name Lava is derived from the “La” in LAMMPS and “va” in VASP. It provides a set of classes and functions to generate configurations, run lammps/vasp calculation, retrieve the output, postprocess and plot the results. All the above tasks are hard-coded into the script, without the need to call additional libraries.

A Parallel Haskell framework for particle-based Monte Carlo simulations

McPhD

Roff

NEXMD

RAM-SCB is a unique code that combines a kinetic model of ring current plasma with a three dimensional force-balanced model of the terrestrial magnetic field to simulate Earth's inner magnetosphere.

RAM-SCB

A tool for coherent synchrotron radiation modeling

cosyr

Emulator Generation Gadget

EGG

CP-APR Tensor Decomposition with PyTorch backend. pyCP_APR can perform non-negative Poisson Tensor Factorization on GPU, and includes an interface for anomaly detection using the extracted latent patterns.

pyCP_APR

Project ARES represents a joint effort between LANL and ORNL to introduce a common compiler representation and tool-chain for HPC applications. At the project's core is the High Level Intermediate Representation, or HLIR, for common compiler toolchains. HLIR is built ontop of the LLVM IR, using metadata to represent high-level parallel constructs.

ares

Intuitive and powerful unstructured geospatial mesh generation from GIS data.

tinerator

Fast predictions for the matter power spectrum.

CosmicEmu

scico-data

Data for the scico project

Python module for synthetic generation of rough fracture surfaces

pySimFrac

Translate a subset of C to Verilog

c2dwave

Parallel Mesh Preprocessor for Subsurface Codes (LANL Copyright No. C19012)

voronoi

A C++ library, database, and utilities for performing thermodynamic calculations using analytic equations of state.

EOSlib

PyFEHM

Easy scripting environment for FEHM

An open-source software project for surface water simulation.

nuflood

Tool for Optimization and Group-structure Analysis of nuclear multi-group cross sections

TOGA

Expose race conditions in Makefiles

stress-make

JuliQAOA.jl

A fast, flexible package for simulating the Quantum Alternating Operator Ansatz

Julia

swiftbat_python

Utilities for BAT instrument on the Neil Gehrels Swift Observatory satellite

A software framework for conducting well-provenanced computer system benchmarking

bueno

Performance portable routines for opacity, emissivity, and scattering

singularity-opac

Fast mesh remapping algorithm based on hashing techniques

CompactHashRemap

100

lca-pytorch

Sparse coding in PyTorch via the Locally Competitive Algorithm (LCA)