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Search results for python materials science
materials-science
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python
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111 search results found
Mdproptools
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5
A Python package for LAMMPS analysis tools
Msgnet
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5
Tensorflow implementation of message passing neural networks for molecules and materials
Airsspy
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5
Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
Aiida Jutools
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5
Tools for simplifying daily work with the AiiDA workflow engine
Synthesis Api
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5
Codebase for Synthesis Project API server
Yascheduler
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5
Yet another cloud computing scheduler for the high-throughput cloud scientific simulations
Phaser
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5
BCDI phase retrieval module written in Python 3.x. GPU implementation done using Tensorflow 2.1, with an older library available that uses Tensorflow 1.x.
Synthesis Database Public
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5
Codebase for compiling a database of materials syntheses
Metadata_extractors_registry
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5
A place to develop and discuss the MaRDA Extractors WG registry.
Spinspg
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5
Python package for detecting spin space group on top of spglib
Synthesis Paragraph Classifier
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5
Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524-019-0204-1)
Bigvasp
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5
A collaborative Mozilla science project to build a materials science database for calculation results using simulation package VASP
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