Indranil17's repositories

matminer

Data mining for materials science

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article-downloader

Uses publisher APIs to programmatically retrieve scientific journal articles for text mining.

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ase

Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase

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awesome-materials-informatics

Curated list of known efforts in materials informatics

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chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

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dft-book

A book on modeling materials using VASP, ase and vasp

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ML_course

EPFL Machine Learning Course, Fall 2019

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Modeling_Matters

GitHub repository for the Matter Modeling Stack Exchange.

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npfl129

NPFL129 repository

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vasp

New ASE compliant Python interface to VASP

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zse

Zeolite Simulation Environment

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