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pynanoflann Public
Forked from dwastberg/pynanoflannunofficial fork of an unofficial python wrapper to the nanoflann k-d tree
C++ BSD 2-Clause "Simplified" License UpdatedFeb 12, 2025 -
geomeTRIC Public
Forked from leeping/geomeTRICGeometry optimization code that includes the TRIC coordinate system
Python Other UpdatedJan 3, 2025 -
pymsym Public
Forked from mcodev31/libmsymmolecular point group symmetry lib
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datasets_and_databases_4_MLPs Public
Forked from Arif-PhyChem/datasets_and_databases_4_MLPsUpdatedAug 23, 2024 -
staged-recipes Public
Forked from conda-forge/staged-recipesA place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python BSD 3-Clause "New" or "Revised" License UpdatedApr 22, 2024 -
pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedFeb 18, 2024 -
bliss Public
a lightweight python package for speech-and-debate tournament tabulation
Python UpdatedNov 27, 2023 -
libdlfind Public
Forked from digital-chemistry-laboratory/libdlfindlibdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
Fortran GNU Lesser General Public License v3.0 UpdatedOct 30, 2023 -
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chromatics Public
view and analyze chromatography data
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utilities Public
utilities for computational chemistry
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quick-fuoss Public
rapid estimation of ion-pair dissociation constants
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presto Public
Python-based reactions in explicit solvent with trajectories via ONIOM
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k-means Public
simple implementation of k-means clustering
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PyQuiver Public
Forked from ekwan/PyQuiverkinetic isotope effect prediction with Gaussian
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TrumpTweets Public
investigating the effect of Donald J. Trump's tweets on the market
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PyIsotopeCalculator Public
calculates isotope ratios given molecular formulas
Jupyter Notebook UpdatedNov 11, 2019 -
MethylDackel Public
Forked from dpryan79/MethylDackelA (mostly) universal methylation extractor for BS-seq experiments.
C MIT License UpdatedOct 2, 2019 -
JagDB Public
Version 2.0 of the famed JagDB (quiz bowl software for categorizing and viewing questions).
Python UpdatedAug 18, 2016
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