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@mmoderwell

Building Ouro, using AI to search for room-temp superconductors and rare-earth free permanent magnets.

2570 XPLevel 26
12 followers16 following
1.41K files5 datasets9 services154 posts

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Services

47 total

GET /dft

route

Welcome

10d

DFT Calculations API

service

API for first-principles calculations and properties

10d

POST /matterviz/trajectory

route

Interactive trajectory explorer with MatterViz

3mo

GET /matterviz

route

Welcome

3mo

MatterViz

service

Interactive browser visualizations for materials science, by @janosh

3mo

GET /mattergen

route

Welcome

3mo

POST /materials/structure/relax/post

route

Relax a crystal structure and create a post

3mo

POST /crystal-gen/create-cif

route

Generate CIF file from crystal structure description

3mo

POST /crystal-gen/describe

route

Get a detailed description of a crystal structure

3mo

GET /crystal-gen/compatible-space-groups

route

Get space groups compatible with a given chemical formula

3mo

GET /crystal-gen

route

Root

3mo

POST /crystal-gen/generate

route

Generate a crystal structure using GGen

3mo

Crystal Generator

service

Random bulk crystal generation with PyXtal and Orb v3

3mo

POST /materials/structure/relax/animation

route

Relax a crystal structure with animation

4mo

POST /materials/structure/doping

route

Create interstitially doped structure

4mo

POST /mattergen/generate/single

route

Generate a crystal structure with MatterGen

4mo

POST /chemeleon/generate

route

Generate a crystal structure with Chemeleon

4mo

POST /mattergen/generate/magnetic-density-hhi-score

route

Generate crystal structures with magnetic density and HHI score conditioning

4mo

POST /materials/phonons/dispersion

route

Calculate phonon dispersion and return band structure plot

4mo

POST /chemeleon/generate/composition

route

Generate crystal structures for target compositions

5mo
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