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kernel-density-estimation Public
Kernel density estimation in Rust.
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seatonullberg.github.io Public template
Forked from alshedivat/al-folioMy personal website
HTML MIT License UpdatedFeb 11, 2024 -
velvet Public
[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
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atompack Public
A flexible Python library for atomic structure generation.
Python MIT License UpdatedJul 6, 2023 -
moltemplate-data Public
LT template files I use to run LAMMPS simulations with moltemplate
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moltemplate Public
Forked from jewettaij/moltemplateA general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Python MIT License UpdatedOct 20, 2021 -
chemfiles-cli Public
A simple chemistry file conversion CLI which wraps the chemfiles library
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GASP-python Public
Forked from kvs11/GASP-pythonGenetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
Python MIT License UpdatedMar 25, 2021 -
matscipy Public
Forked from libAtoms/matscipyMaterials science with Python at the atomic-scale
Python GNU Lesser General Public License v2.1 UpdatedMar 3, 2021 -
retworkx Public
Forked from Qiskit/rustworkxA python graph library implemented in Rust.
Rust Apache License 2.0 UpdatedOct 19, 2020 -
ugraph Public
C89 undirected graph implementation.
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calg Public
Forked from fragglet/c-algorithmsA library of common data structures and algorithms written in C.
C ISC License UpdatedOct 11, 2020 -
chemfiles Public
Forked from chemfiles/chemfilesLibrary for reading and writing chemistry files
C++ BSD 3-Clause "New" or "Revised" License UpdatedSep 10, 2020 -
tests-data Public
Forked from chemfiles/tests-dataTest files for chemfiles
Arc UpdatedSep 10, 2020 -
spglib Public
Forked from spglib/spglibC library for finding and handling crystal symmetries
C BSD 3-Clause "New" or "Revised" License UpdatedSep 9, 2020 -
lammps-projects Public
Scripts to run and analyze my LAMMPS calculations.
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libatompack Public
A pure C library for atomic structure generation.
C GNU Lesser General Public License v3.0 UpdatedJul 7, 2020 -
geo Public
Forked from georust/geoGeospatial primitives and algorithms for Rust
Rust Apache License 2.0 UpdatedMar 30, 2020 -
cmstk Public
Computational Materials Science Tool Kit
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mobo Public
A rational and extensible algorithm for solving multi-objective optimization problems
Python BSD 2-Clause "Simplified" License UpdatedNov 18, 2019 -
tensor-view Public archive
A cross-platform GUI for visualizing anisotropy in 2nd rank tensor properties
Go GNU General Public License v3.0 UpdatedOct 23, 2019 -
grains Public
Metallic and ceramic grain analysis made easy.
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PyPPA Public archive
Python Powered Personal Assistant
Python BSD 2-Clause "Simplified" License UpdatedOct 18, 2018 -
Flask-Finder Public
Forked from ChemiKyle/Flask-FinderPython based webapp to search inventory of a laboratory
Python GNU General Public License v3.0 UpdatedApr 30, 2018
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