couteiral
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bitsandbytes Public
Forked from bitsandbytes-foundation/bitsandbytes8-bit CUDA functions for PyTorch
Python MIT License UpdatedAug 25, 2023 -
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oxrse_unit_conv Public template
Forked from OxfordRSE/oxrse_unit_convPython unit conversion library for teaching collaborative GitHub techniques.
Python MIT License UpdatedMay 24, 2023 -
personal-blog Public
Forked from wowthemesnet/mediumish-theme-jekyllPersonal blog
JavaScript MIT License UpdatedApr 19, 2023 -
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dms_tools2 Public
Forked from jbloomlab/dms_tools2software for the analysis and visualization of deep mutational scanning data
Python GNU General Public License v3.0 UpdatedSep 30, 2022 -
structure-vs-folding Public
Code for article "Current structure predictors are not learning the physics of protein folding" by Outeiral et al. (Bioinformatics, 2022)
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proteinham Public
Python library for handling protein lattice hamiltonians
Python Creative Commons Attribution 4.0 International UpdatedDec 14, 2021 -
Code for article "Investigating the potential for a limited quantum speedup on protein lattice problems" by Outeiral et al. (New Journal of Physics, 2021)
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RNA-Analysis Public
Code for "Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA Nucleosides"
Python MIT License UpdatedApr 20, 2020 -
A lightning-fast tutorial on quantum optimisation, including some quotidian life examples (yes, really)
UpdatedSep 13, 2019 -
sympy Public
Forked from sympy/sympyA computer algebra system written in pure Python
Python Other UpdatedApr 4, 2019 -
The hackable text editor
JavaScript MIT License UpdatedMar 25, 2019 -
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rhorix Public
Forked from MJLMills/rhorixPython 3.3 Blender Add-On for Importing QCT Data
Perl Other UpdatedJun 6, 2018 -
pyswarm Public
Forked from tisimst/pyswarmParticle swarm optimization (PSO) that supports constraints
Python UpdatedMay 8, 2018 -
plumed2 Public
Forked from plumed/plumed2Development version of plumed 2
C++ GNU Lesser General Public License v3.0 UpdatedMar 29, 2018 -
ORGANIC-1 Public
Forked from aspuru-guzik-group/ORGANICCode repo for optimizing distributions of molecules.
Jupyter Notebook GNU General Public License v3.0 UpdatedMar 17, 2018 -
NumericalMethods Public
Didactic Python implementations of simple numerical methods
GNU General Public License v3.0 UpdatedNov 14, 2017 -
Girolami Public
A simple Python script for predicting liquid densities using Girolami's method.
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ORGANIC Public
Objective-Reinforced Generative Adversarial Networks for Inverse-design Chemistry
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blender-mol Public
A simple Python script to draw molecules in Blender.