zulissi
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zulissi.github.io Public template
Forked from alshedivat/al-folioA beautiful, simple, clean, and responsive Jekyll theme for academics
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ocp Public
Forked from FAIR-Chem/fairchemhttps://opencatalystproject.org/
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Awesome-CV Public
Forked from posquit0/Awesome-CV📄 Awesome CV is LaTeX template for your outstanding job application
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Ceph is a distributed object, block, and file storage platform
C++ Other UpdatedJul 13, 2021 -
xtb Public
Forked from grimme-lab/xtbSemiempirical Extended Tight-Binding Program Package
Fortran GNU Lesser General Public License v3.0 UpdatedJan 24, 2021 -
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amptorch Public
Forked from ulissigroup/amptorchAMPTorch: Atomistic Machine Learning Package (AMP) - PyTorch
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SIMPLE-NN Public
Forked from MDIL-SNU/SIMPLE-NNSIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
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NuclearityCalculation Public
A set of functions for surface nuclearity calculations using GASPy-dev and pymatgen
1 UpdatedMay 19, 2020 -
Open-Catalyst-Dataset Public
Forked from Open-Catalyst-Project/Open-Catalyst-DatasetWorkflow for creating and analyzing the Open Catalyst Dataset
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dft-book-espresso Public
Forked from jkitchin/dft-book-espressoNew version of dft-book for Quantum Espresso
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f19-06625 Public
Course repository for Chemical and Reactive Systems (06-625) at CMU, Fall 2019
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cgcnn Public
Forked from ulissigroup/cgcnnCrystal graph convolutional neural networks for predicting material properties.
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ase-espresso Public
Forked from lmmentel/ase-espressoase interface for Quantum Espresso
Python Other UpdatedNov 14, 2017 -
vasp Public
Forked from jkitchin/vaspNew ASE compliant Python interface to VASP
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pymatgen Public
Forked from materialsproject/pymatgenPython Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
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fireworks Public
Forked from materialsproject/fireworksThe Fireworks Workflow Management Repo.