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117 public repositories
matching this topic...
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Updated
Jun 28, 2024
Python
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
Updated
Jun 25, 2024
Python
Agenda, Minutes, Presentations
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Jun 5, 2024
Python
Deep and Machine Learning for Microscopy
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Jun 26, 2024
Python
Python Materials Discovery Framework
Updated
Feb 2, 2024
Python
Updated
Mar 5, 2024
Python
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
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Feb 22, 2022
Python
Introduction to Decorators - Tutorial given at PyCon Online 2020 and 2021
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Jun 5, 2023
Python
Updated
Jan 29, 2018
Python
Defect structure-searching employing chemically-guided bond distortions
Updated
Jun 6, 2024
Python
A DEM toolkit for rapid simulation & quantitative analysis of granular systems
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Jul 21, 2023
Python
A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials science.
Updated
Jun 24, 2024
Python
MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the research and application of material science.
Updated
Oct 10, 2022
Python
🍀 A small collection of creative nodes to generate color palette and store values for Blender
Updated
Apr 26, 2020
Python
Tools for converting from DFT codes into PIF objects
Updated
Oct 8, 2019
Python
A python library for calculating materials properties from the PES
Updated
Jun 9, 2024
Python
Package containing several workflows to compute molecular properties for nanomaterials
Updated
Jun 28, 2024
Python
This library tackles the construction and efficient execution of computational chemistry workflows
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Feb 1, 2024
Python
A toolkit for querying data in OQMD.
Updated
Jan 2, 2022
Python
A python package to simulate precipitation and diffusion behavior using Calphad
Updated
May 13, 2024
Python
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