agoscinski Goto Github PK

.github

COSMO Github Page

aiida-core

The official repository for the AiiDA code

aiida-restapi

AiiDA Web API for data queries and workflow management.

alexgo_presentations

This is a collection of jupyter notebooks for presentation purpose.

camelive

A framework using the android.hardware.camera package to apply image processing tasks on the preview camera image and show it directly on the screen.

chemiscope

An interactive structure/property explorer for materials and molecules

cuda-reduce

dimenet

DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020)

ensemblemethodsforfeatureselection

By applying ensemble methods we improve the robustness of feature selection methods.

epfl_thesis_template

Unofficial template for the PhD thesis at EPFL maintained by PolyDoc

feature-space-measures

Tools to compare features spaces

financeservicecomputing

A trading system based on the FIX protocol allowing trading between companies an brokers by matching orders and requests.

gelib

C++/CUDA library for SO(3) equivariant operations

hashcode2018pizzaproblem

A visualization script to visualize the problem and solution for the practice problem of the Googles Hash Code 2018 https://hashcode.withgoogle.com/

i-pi

i-PI: a universal force engine

iam-notebooks

Jupyter notebooks for the lectures of the Introduction to Atomistic Modeling

jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

jupyterlite-playground

lammps

Public development project of the LAMMPS MD software package

learning-nn

librascal

A scalable and versatile library to generate representations for atomic-scale learning

liquid-qsa

Implementations of quantum search algorithms and experiments in Liquid (Grover and Ozhigov's parallel Grover algorithm)

marp-cli-example

The good starter for using Marp via Marp CLI, by the author of Marp

molecule-learn

some code for doing regression on atomic structures, ATM quick and dirty

nightly-wheels

Build wheels nightly and allow to install them with pip

numpy

The fundamental package for scientific computing with Python.

plumed2

Development version of plumed 2

rascaline

sampleproject-presentation

Sample project for the COSMO retreat teaching collaborative programming using Git and Github

scicode-widgets-unofficial

A collection of widgets helping with the creation of interactive exercises with the functionality for students to check and save their answers comfortably. This repo will be moved to github.com/osscar-org/scicode-widgets as soon as the prototyping phase has finished