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University of Houston
- Houston, TX
- http:https://wen.chee.uh.edu
- @Wen_Mingjian
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emmet Public
Forked from materialsproject/emmetBe a master builder of databases of material properties. Avoid the Kragle.
Python Other UpdatedJul 8, 2024 -
atomate2 Public
Forked from materialsproject/atomate2atomate2 is a library of computational materials science workflows
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schnetpack Public
Forked from atomistic-machine-learning/schnetpackSchNetPack - Deep Neural Networks for Atomistic Systems
Python Other UpdatedJun 6, 2024 -
kim-nequip Public
Forked from ipcamit/kim-nequipSmall utility fork of nequip to port NequIP models to OpenKIM compatible format
Python MIT License UpdatedFeb 14, 2024 -
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 Other UpdatedFeb 10, 2024 -
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jobflow Public
Forked from materialsproject/jobflowjobflow is a library for writing computational workflows.
Python Other UpdatedDec 28, 2023 -
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maggma Public
Forked from materialsproject/maggmaMongoDB aggregation machine
Python Other UpdatedNov 21, 2023 -
dscribe Public
Forked from SINGROUP/dscribeDScribe is a python package for creating machine learning descriptors for atomistic systems.
C++ Apache License 2.0 UpdatedJul 10, 2023 -
matten Public
Materials Tensor prediction using equivariant graph neural networks
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bondnet Public
A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
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A modular framework for neural networks with Euclidean symmetry
Python Other UpdatedMar 16, 2023 -
fireworks Public
Forked from materialsproject/fireworksThe Fireworks Workflow Management Repo.
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rxnrep Public
Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
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mjwen.github.io Public
Forked from academicpages/academicpages.github.ioGithub Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
JavaScript MIT License UpdatedJul 29, 2022 -
custom-wowchemy-theme Public
Forked from matteocourthoud/custom-wowchemy-themeMy settings for Hugo Academic (wowchemy)
SCSS UpdatedApr 18, 2022 -
atomate Public
Forked from hackingmaterials/atomateatomate is a powerful software for computational materials science and contains pre-built workflows.
Python Other UpdatedJun 1, 2021 -
Python package built to ease deep learning on graph, on top of existing DL frameworks.
Python Apache License 2.0 UpdatedMay 27, 2021 -
hNN__MD_435082866799_000 Public
A KIM model driver of the hybrid neural network potential.
C++ Other UpdatedSep 13, 2019 -
A KIM model of the hybrid neural network potential.
Makefile Other UpdatedSep 12, 2019 -
KIM model for Dropout Uncertainty Neural Network (DUNN) interatomic potential
Makefile Other UpdatedAug 31, 2019 -
DUNN__MD_000000111111_000 Public
KIM model driver for Dropout Uncertainty Neural Network (DUNN) interatomic potential
C++ Other UpdatedAug 31, 2019 -
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lammps Public
Forked from ellio167/lammpsPublic/backup repository of the LAMMPS MD software package
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KIM driver of the DRIP potential.
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KIM model of the DRIP potential.
CMake Other UpdatedApr 18, 2019 -
kim-api Public
Forked from openkim/kim-apiThe Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and easy retrieval of interatomic models and data.
C++ Other UpdatedSep 14, 2018