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13 search results found

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

Atomate2 ⭐ 112

atomate2 is a library of computational materials science workflows

Aiida Vasp ⭐ 42

A plugin to AiiDA for running simulations with VASP

Disorder ⭐ 36

A code for generating irreducible site-occupancy configurations

High Entropy Alloys ⭐ 35

Generate random alloys and compute various properties

Materials informatics framework for ab initio data repositories

Twod_materials ⭐ 14

High throughput workflow tools for characterizing 2D materials in VASP.

Mpds Ml Labs ⭐ 10

This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).

Vasp Tools ⭐ 8

A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.

Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.

Curie_calculator ⭐ 7

Magnetic critical temperature Calculator

Quantum_esperanto ⭐ 5

Very fast parser for the XML logs produced with the VASP, Vienna Ab initio Simulation Package

A collaborative Mozilla science project to build a materials science database for calculation results using simulation package VASP

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1-13 of 13 search results

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