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dihedral_model Public
A stochastic model for generating semiflexible polymer conformations
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ocp Public
Forked from facebookresearch/fairchemhttps://opencatalystproject.org/
Python MIT License UpdatedOct 7, 2021 -
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nersc-pytorch-build Public
Forked from sparticlesteve/nersc-pytorch-buildBuild scripts for PyTorch @ NERSC
Shell UpdatedSep 4, 2021 -
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academic-kickstart Public
Forked from HugoBlox/hugo-theme-academic-cvEasily create a beautiful website using Academic and Hugo
Jupyter Notebook MIT License UpdatedAug 31, 2020 -
Encoding-Decoding-3D-Crystals Public
Forked from hoffmannjordan/Encoding-Decoding-3D-Crystals"Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Jean Michel Sellier, Yoshua Bengio
Python MIT License UpdatedNov 7, 2019 -
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elastic_tensor_ML Public
Machine learning models for predicting the bulk modulus of materials
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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…
Python MIT License UpdatedJun 8, 2018 -
atomate Public
Forked from hackingmaterials/atomateatomate is a powerful software for computational materials science and contains pre-built workflows.
Python Other UpdatedJun 8, 2018 -
CompBook Public
Computational Research Notebook
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