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mumps3.jl

Julia interface with MUMPS sparse parallel direct solver

nashgames

A python library for 2 player games.

newspaper

News, full-text, and article metadata extraction in Python 3. Advanced docs:

nmrlipidsdatabank

NMRlipids databank

nn-zero-to-hero

Neural Networks: Zero to Hero

noeboltzmanngeneratorstochasticflow

Boltzmann Generators and Normalizing Flows in PyTorch

notactuallyalphasphereanime

Animations of alpha filtrations

nucleartoolkit.jl

NuclearToolkit.jl: Julia package for nuclear structure calculations

nucleicnet

numericallinearalgebra2021

The repository for Skolech NLA2021

nvidia_kaolin_octtree

NVIDIA Kaolin Wisp is a PyTorch library powered by NVIDIA Kaolin Core to work with neural fields (including NeRFs, NGLOD, instant-ngp and VQAD).

nvidiadeeplearningexamples

Deep Learning Examples

omegafold

OmegaFold Release Code

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

openmm-cookbook

A collection of code snippets for doing molecular simulations with OpenMM.

openmm-torch

OpenMM plugin to define forces with neural networks

openpathsampling

An open source Python framework for transition interface and path sampling calculations.

optimaltransport.github.io

Web site of the Computational Optimal Transport book

optimaltransportmodeling

The repository contains reproducible PyTorch source code of our paper Generative Modeling with Optimal Transport Maps, ICLR 2022.

optimesh

:spider_web: Mesh optimization, mesh smoothing.

ordinarydiffeq.jl

High performance differential equation solvers for ordinary differential equations, including neural ordinary differential equations (neural ODEs) and scientific machine learning (SciML)

orthopy

:triangular_ruler: Orthogonal polynomials in all shapes and sizes.

parallelcomputationexamples

Examples of MPI and OpenMP (adapted from MPI Tutorial)

parce-1

PARCE version 1.0

parvmec

3D Equilibrium Solver

pc-guided_protein_structure_refinement

Codes for doing PC-guided protein structure refinement

pdb2stl

Conversion of Protein Data Bank (PDB) structures for 3D printing

pele

Python energy landscape explorer

physicsinformedneuralnetworks

Physics Informed Deep Learning: Data-driven Solutions and Discovery of Nonlinear Partial Differential Equations

pio

Principal Interacting Orbital