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longkunxuluke.github.io Public
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
JavaScript MIT License UpdatedDec 21, 2025 -
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deepmd-kit Public
Forked from deepmodeling/deepmd-kitA deep learning package for many-body potential energy representation and molecular dynamics
C++ GNU Lesser General Public License v3.0 UpdatedMar 16, 2022 -
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sqlzoo-solutions Public
Forked from jisaw/sqlzoo-solutionsSolutions to the challenges on http://sqlzoo.net
UpdatedNov 11, 2021 -
coursera-deep-learning-specialization Public
Forked from amanchadha/coursera-deep-learning-specializationNotes, programming assignments and quizzes from all courses within the Coursera Deep Learning specialization offered by deeplearning.ai: (i) Neural Networks and Deep Learning; (ii) Improving Deep N…
Jupyter Notebook UpdatedNov 2, 2021 -
set_up Public
Forked from Coote-group/set_upset_up scripts of Michelle Coote group at ANU
Perl UpdatedOct 28, 2021 -
chemprop Public
Forked from chemprop/chempropMessage Passing Neural Networks for Molecule Property Prediction
Python MIT License UpdatedOct 16, 2021 -
simpy Public
Forked from ensemble-learning/simpya python package for simulation
Python UpdatedAug 27, 2021 -
xyz2POSCAR Public
Forked from lqcata/xyz2POSCARThis script converts the xyz format files into POSCAR for VASP calculation
Python UpdatedMar 2, 2021 -
scikit-learn Public
Forked from scikit-learn/scikit-learnscikit-learn: machine learning in Python
Python Other UpdatedAug 6, 2020 -
EnergyLeveller Public
Forked from JFurness1/EnergyLevellerA python script to plot an energy level diagram from an input file.
Python UpdatedMay 29, 2020 -
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fftool Public
Forked from paduagroup/fftoolTool to build force field input files for molecular simulation.
Python GNU General Public License v3.0 UpdatedNov 27, 2019 -
ilff Public
Forked from paduagroup/clandpForce field for ionic liquids.
MIT License UpdatedSep 10, 2019 -
geomConvert Public
Forked from robashaw/geomConvertA python utility to convert between XYZ and Z-matrix geometries.
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Machine-learning-on-materials-research Public
Forked from RuihaoQiu/Machine-learning-on-materials-researchJupyter Notebook UpdatedJun 16, 2018 -
ase_tools Public
Forked from znotft/ase_toolsTools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.
Python UpdatedNov 6, 2012
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