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soprano Public
Forked from CCP-NC/sopranoSoprano - a Python library to crack crystals!
Jupyter Notebook GNU Lesser General Public License v3.0 UpdatedJul 8, 2025 -
janus-core Public
Forked from stfc/janus-coreTools for machine learnt interatomic potentials
Python BSD 3-Clause "New" or "Revised" License UpdatedJun 13, 2025 -
spinplots Public
Forked from danielcunhapereira/spinplotsSpinPlots is a Python package built on top of NMRglue, designed to simplify the process of plotting NMR data.
Python MIT License UpdatedMay 9, 2025 -
simpyson Public
Forked from nuts-org/simpysonA python interface for SIMPSON
Python MIT License UpdatedApr 26, 2025 -
pack-mm Public
Forked from ddmms/pack-mmpacking molecules and materials
Python MIT License UpdatedApr 23, 2025 -
bruker2csv Public
Python script to convert Bruker's NMR files into csv files
Jupyter Notebook UpdatedApr 11, 2025 -
TENSOAP Public
Forked from dilkins/TENSOAPPublic repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
C GNU Lesser General Public License v3.0 UpdatedOct 4, 2024 -
mycompchem Public
Some scripts I use regularly to make my computational chemistry workflow a bit easier
Python UpdatedAug 29, 2024 -
nmrglue Public
Forked from jjhelmus/nmrglueA module for working with NMR data in Python
Python BSD 3-Clause "New" or "Revised" License UpdatedNov 28, 2023 -
zse Public
Forked from jtcrum/zseZeolite Simulation Environment
Python MIT License UpdatedOct 20, 2023 -
ua-thesis-template Public
Forked from detiuaveiro/ua-thesis-template📖 A thesis LaTeX template that complies with the University of Aveiro's guidelines and provides a simple CLI workflow around make and compatibility with Overleaf.
TeX MIT License UpdatedDec 20, 2021
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