Giters
Laboratory of Computational Science and Modeling (lab-cosmo)

Laboratory of Computational Science and Modeling

lab-cosmo

Geek Repo

Public repositories for code developed at the L-COSMO

Location:EPFL - STI - Institute of Materials

Home Page:http://cosmo.epfl.ch

Twitter:@lab_COSMO

Github PK Tool:Github PK Tool

Laboratory of Computational Science and Modeling's repositories

chemiscope

An interactive structure/property explorer for materials and molecules

Language:TypeScriptLicense:BSD-3-ClauseStargazers:112Issues:19Issues:116

librascal

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

Language:C++License:LGPL-2.1Stargazers:79Issues:21Issues:232

sphericart

Multi-language library for the calculation of spherical harmonics in Cartesian coordinates

Language:C++License:Apache-2.0Stargazers:56Issues:5Issues:21

sketchmap

Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular

Language:C++License:GPL-3.0Stargazers:43Issues:31Issues:8

metatensor

Self-describing sparse tensor data format for atomistic machine learning and beyond

Language:PythonLicense:BSD-3-ClauseStargazers:40Issues:17Issues:167

kernel-tutorials

A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling

Language:Jupyter NotebookLicense:LGPL-3.0Stargazers:20Issues:17Issues:13

nice

Language:MathematicaLicense:MITStargazers:13Issues:18Issues:3

sparse_accumulation

Language:PythonStargazers:11Issues:5Issues:2

metatensor-models

Atomistic models using metatensor

Language:PythonLicense:BSD-3-ClauseStargazers:9Issues:0Issues:0

i-pi

i-PI: a universal force engine

Language:PythonStargazers:8Issues:19Issues:0

gle4md

Utilities to generate input parameters for Generalized Langevin Equation thermostats

Language:C++Stargazers:7Issues:24Issues:5

mops

Mathematical operations with GPU acceleration

Language:C++License:BSD-3-ClauseStargazers:7Issues:0Issues:0

software-cookbook

The COSMO cookbook contains recipes for atomic-scale modelling for materials and molecules

Language:PythonLicense:BSD-3-ClauseStargazers:7Issues:15Issues:11

toolbox

Assorted libraries and utilities for atomistic simulation analysis

Language:C++Stargazers:6Issues:28Issues:0

equisolve

A ML toolkit package utilizing the metatensor data format to build models for the prediction of equivariant properties and gradients.

Language:PythonLicense:BSD-3-ClauseStargazers:5Issues:16Issues:23

cosmo-tools

Scripts, jupyter nbs, and general helpful stuff from COSMO by COSMO

Language:TeXStargazers:4Issues:24Issues:0

isv

An Interactive Sketch-Map Visualizer

Language:JavaScriptLicense:MITStargazers:3Issues:27Issues:1

torch_spex

Spherical expansions in PyTorch

Language:PythonStargazers:3Issues:5Issues:8

.github

COSMO Github Page

Stargazers:1Issues:1Issues:1

equistore-examples

Language:Jupyter NotebookStargazers:1Issues:17Issues:1

lammps

Internal COSMO developments of LAMMPS source

Language:C++License:GPL-2.0Stargazers:1Issues:21Issues:1

plumed2

Internal COSMO developments of PLUMED2

Language:C++License:LGPL-3.0Stargazers:1Issues:20Issues:0

cluster-tutorials

Language:ShellStargazers:0Issues:0Issues:0

cosmoducation

Educational materials for teaching the fundamentals of representations at the atomic-scale.

Stargazers:0Issues:3Issues:0

GCH

Public repository for the generalized convex hull construction (GCH).

Language:PythonLicense:GPL-3.0Stargazers:0Issues:0Issues:0

gromacs

License:LGPL-2.1Stargazers:0Issues:0Issues:0

libmetatensor-feedstock

A conda-smithy repository for libmetatensor.

License:BSD-3-ClauseStargazers:0Issues:0Issues:0

metatensor-docs

Documentation hosting for metatensor

Language:HTMLStargazers:0Issues:2Issues:0

metatensor-feedstock

A conda-smithy repository for metatensor.

License:BSD-3-ClauseStargazers:0Issues:0Issues:0

skmatter-ore

Contains the data and notebooks required for creating figures found in the Scikit-Matter ORE paper

Language:Jupyter NotebookLicense:BSD-3-ClauseStargazers:0Issues:0Issues:0